Geometry & MOs

Info

ID:	48700
PubChem CID:	11114630
Reduced:	S2N4O7C27H38 (1)
Stoich.:	A2B4C7D27E38 (1)
Weight, g/mol:	1121.694204
ΔH_f, kcal/mol:	-286.61
Dipole, Da:	6.48
IP(EA), eV:	-8.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[10,20-bis(3,5-ditert-butylphenyl)-15-[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl]-N-ethylanilino]ethyl 2-methylprop-2-enoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC2=C(C(=C1)CN3CCC[C@H]3C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C2)C(=O)OC)C(=O)OC)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC2=C(C(=C1)CN3CCC[C@H]3C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H]4CCCN4C2)C(=O)OC)C(=O)OC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):