Geometry & MOs

Info

ID:	305366
PubChem CID:	124772278
Reduced:	ClSN2O2C21H27 (1)
Stoich.:	ABC2D2E21F27 (1)
Weight, g/mol:	484.049
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	4.87
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(1S,2R)-2-methylcyclohexyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)[C@@H]2CCCC[C@H]2NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations