Geometry & MOs

Info

ID:	95619
PubChem CID:	50010741
Reduced:	O4N5C26H33 (1)
Stoich.:	A4B5C26D33 (1)
Weight, g/mol:	585.19507
ΔH_f, kcal/mol:	-155.18
Dipole, Da:	7.0
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-3-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations