Geometry & MOs

Info

ID:

433896

PubChem CID:

135174043

Reduced:

SO2N6C37H40 (1)

Stoich.:

AB2C6D37E40 (1)

Weight, g/mol:

632.285952

ΔHf, kcal/mol:

20.8

Dipole, Da:

6.13

IP(EA), eV:

 -8.16(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-[(E)-[5-[3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]-6-oxocyclohexa-2,4-dien-1-ylidene]amino]-1,7-dihydro-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(S2)CN(C3)C(=O)OC(C)(C)C)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations