Geometry & MOs

Info

ID:	68949
PubChem CID:	46513478
Reduced:	ClOS2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	24.6
Dipole, Da:	7.77
IP(EA), eV:	-9.18(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylcarbamoylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC(C2=CC=C(C=C2)Cl)C(C)C)C3=CC=CS3

DOS

IR

Vibrations