Geometry & MOs

Info

ID:

111333

PubChem CID:

50362317

Reduced:

Cl2O4N5C28H35 (1)

Stoich.:

A2B4C5D28E35 (1)

Weight, g/mol:

643.316998

ΔHf, kcal/mol:

-172.02

Dipole, Da:

5.95

IP(EA), eV:

 -8.96(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyphenyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations