Geometry & MOs

Info

ID:

107665

PubChem CID:

50213831

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-224.23

Dipole, Da:

6.91

IP(EA), eV:

 -8.86(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-fluorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)N(C)C)C

DOS

IR

Vibrations