Geometry & MOs

Info

ID:	84535
PubChem CID:	49867396
Reduced:	PN2O8C9H13 (1)
Stoich.:	AB2C8D9E13 (1)
Weight, g/mol:	613.297245
ΔH_f, kcal/mol:	-315.94
Dipole, Da:	7.16
IP(EA), eV:	-10.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-cyano-1-oxobutan-2-yl]amino]-3-hydroxy-4-oxobutanoate

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

C1[C@@H]([C@H](O[C@H]1N2C=CC(=C2)[N+](=O)[O-])COP(=O)(O)O)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

C1[C@@H]([C@H](O[C@H]1N2C=CC(=C2)[N+](=O)[O-])COP(=O)(O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):