Geometry & MOs

Info

ID:	36626
PubChem CID:	8010059
Reduced:	ClOSN5H16C17 (1)
Stoich.:	ABCD5E16F17 (1)
Weight, g/mol:	325.099731
ΔH_f, kcal/mol:	43.52
Dipole, Da:	7.19
IP(EA), eV:	-8.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NNC(=N3)N)Cl

DOS

IR

Vibrations