Geometry & MOs

Info

ID:	140715
PubChem CID:	52746165
Reduced:	ClN2O2S2H21C22 (1)
Stoich.:	AB2C2D2E21F22 (1)
Weight, g/mol:	444.073298
ΔH_f, kcal/mol:	-30.63
Dipole, Da:	3.13
IP(EA), eV:	-9.08(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N[C@@H](C2=CC=C(C=C2)Cl)C3=CSC=C3

DOS

IR

Vibrations