Geometry & MOs

Info

ID:	42814
PubChem CID:	8150047
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	354.116877
ΔH_f, kcal/mol:	-125.07
Dipole, Da:	4.77
IP(EA), eV:	-8.97(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-chlorophenyl)methylsulfanyl]-N-(cyclohexylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)N3CCCCCCC3)C

DOS

IR

Vibrations