Geometry & MOs

Info

ID:

112842

PubChem CID:

50422279

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

614.18523

ΔHf, kcal/mol:

-197.18

Dipole, Da:

9.43

IP(EA), eV:

 -8.89(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-3-carbamoylanilino)-3-oxopropyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC

DOS

IR

Vibrations