Geometry & MOs

Info

ID:	93845
PubChem CID:	49997164
Reduced:	SO3N4C31H42 (1)
Stoich.:	AB3C4D31E42 (1)
Weight, g/mol:	582.22055
ΔH_f, kcal/mol:	-124.72
Dipole, Da:	7.8
IP(EA), eV:	-8.26(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations