Geometry & MOs

Info

ID:	173170
PubChem CID:	75605448
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	435.172896
ΔH_f, kcal/mol:	-26.1
Dipole, Da:	4.96
IP(EA), eV:	-8.52(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COCC1C(C2=NC(=O)CC(N2N1)C(=O)NC3=CC(=CC=C3)SC)C4=CC=CC=C4

DOS

IR

Vibrations