Geometry & MOs

Info

ID:

433580

PubChem CID:

135173720

Reduced:

NC15H21 (1)

Stoich.:

AB15C21 (1)

Weight, g/mol:

697.24156

ΔHf, kcal/mol:

43.69

Dipole, Da:

1.86

IP(EA), eV:

 -7.25(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 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-carboxylate

Drug info:

PubChemData

Smile

CCC=CC1=CC(=CN(C1=CCC)C)C=C

DOS

IR

Vibrations