Geometry & MOs

Info

ID:

100416

PubChem CID:

50061218

Reduced:

FN6O6C39H49 (1)

Stoich.:

AB6C6D39E49 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-283.49

Dipole, Da:

10.18

IP(EA), eV:

 -8.36(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C)C)OC

DOS

IR

Vibrations