Geometry & MOs

Info

ID:	56454
PubChem CID:	17425502
Reduced:	ClN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	396.038454
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	4.54
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(methylcarbamoyl)-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CN2C=CC3=CC=CC=C3C2=O

DOS

IR

Vibrations