Geometry & MOs

Info

ID:

113831

PubChem CID:

50460388

Reduced:

ClO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-138.98

Dipole, Da:

4.2

IP(EA), eV:

 -8.97(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]-4-methylphenyl]-1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NCC(C)C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations