Geometry & MOs

Info

ID:

113486

PubChem CID:

50447747

Reduced:

BrO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

690.21653

ΔHf, kcal/mol:

-155.33

Dipole, Da:

3.62

IP(EA), eV:

 -8.91(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)N(C)C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations