Geometry & MOs

Info

ID:

433621

PubChem CID:

135173761

Reduced:

ClO2N8H37C39 (1)

Stoich.:

AB2C8D37E39 (1)

Weight, g/mol:

683.225909

ΔHf, kcal/mol:

82.91

Dipole, Da:

8.57

IP(EA), eV:

 -8.21(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-[(E)-[5-[2-chloro-3-[[5-[(2-hydroxyethylamino)methyl]-1-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]-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=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CC(C8)C(=O)O)Cl

DOS

IR

Vibrations