Geometry & MOs

Info

ID:	39008
PubChem CID:	8138341
Reduced:	ClOSN5C20H22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	415.123359
ΔH_f, kcal/mol:	51.08
Dipole, Da:	8.78
IP(EA), eV:	-9.11(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-2-phenylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations