Geometry & MOs

Info

ID:	77952
PubChem CID:	49681186
Reduced:	ClOS2N4C13H13 (1)
Stoich.:	ABC2D4E13F13 (1)
Weight, g/mol:	435.064666
ΔH_f, kcal/mol:	44.35
Dipole, Da:	2.95
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations