Geometry & MOs

Info

ID:	425652
PubChem CID:	135127130
Reduced:	N4O5C23H38 (1)
Stoich.:	A4B5C23D38 (1)
Weight, g/mol:	897.947565
ΔH_f, kcal/mol:	-220.27
Dipole, Da:	5.69
IP(EA), eV:	-8.81(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-[2,5-bis[5-(1,2,2-tricyanoethenyl)thiophen-2-yl]thiophen-3-yl]-5-[5-(1,2,2-tricyanoethenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile

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

CNCCCC[C@@H](C(=O)N[C@@H](CCCCNC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

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

CNCCCC[C@@H](C(=O)N[C@@H](CCCCNC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):