Geometry & MOs

Info

ID:

108756

PubChem CID:

50257248

Reduced:

BrO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

690.21653

ΔHf, kcal/mol:

-142.02

Dipole, Da:

9.69

IP(EA), eV:

 -8.89(-0.81)

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-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Br)C(=O)N(C)C

DOS

IR

Vibrations