Geometry & MOs

Info

ID:	242833
PubChem CID:	99213268
Reduced:	ClOS2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	458.117939
ΔH_f, kcal/mol:	52.8
Dipole, Da:	5.38
IP(EA), eV:	-8.71(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC)C(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl

DOS

IR

Vibrations