Geometry & MOs

Info

ID:

100186

PubChem CID:

50059076

Reduced:

N6O6C35H40 (1)

Stoich.:

A6B6C35D40 (1)

Weight, g/mol:

744.288317

ΔHf, kcal/mol:

-191.17

Dipole, Da:

9.62

IP(EA), eV:

 -8.6(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations