Geometry & MOs

Info

ID:

95627

PubChem CID:

50010783

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-207.59

Dipole, Da:

10.12

IP(EA), eV:

 -9.11(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations