Geometry & MOs

Info

ID:	140714
PubChem CID:	52746164
Reduced:	ClOSN2H19C20 (1)
Stoich.:	ABCD2E19F20 (1)
Weight, g/mol:	444.073298
ΔH_f, kcal/mol:	28.19
Dipole, Da:	7.01
IP(EA), eV:	-8.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N[C@H](C2=CC=C(C=C2)Cl)C3=CSC=C3

DOS

IR

Vibrations