Geometry & MOs

Info

ID:

433885

PubChem CID:

135174028

Reduced:

PO4N6C27H35 (1)

Stoich.:

AB4C6D27E35 (1)

Weight, g/mol:

711.25721

ΔHf, kcal/mol:

-134.91

Dipole, Da:

5.43

IP(EA), eV:

 -8.98(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-[(E)-[5-[2-chloro-3-[[5-[[(2-hydroxy-2-methylpropyl)amino]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=CC(=C(C=C1)COCCCNP(=O)(CO[C@H](C)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4)C

DOS

IR

Vibrations