Geometry & MOs

Info

ID:	237042
PubChem CID:	92717054
Reduced:	ClNSO3H16C20 (1)
Stoich.:	ABCD3E16F20 (1)
Weight, g/mol:	324.071468
ΔH_f, kcal/mol:	-54.51
Dipole, Da:	3.04
IP(EA), eV:	-9.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CS3

DOS

IR

Vibrations