Geometry & MOs

Info

ID:	100232
PubChem CID:	50059315
Reduced:	O4N5C35H41 (1)
Stoich.:	A4B5C35D41 (1)
Weight, g/mol:	605.16377
ΔH_f, kcal/mol:	-137.23
Dipole, Da:	12.55
IP(EA), eV:	-8.57(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-3-(methylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5CCCCC5

DOS

IR

Vibrations