Geometry & MOs

Info

ID:	125596
PubChem CID:	50929440
Reduced:	O2S2N7H27C33 (1)
Stoich.:	A2B2C7D27E33 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	74.42
Dipole, Da:	8.77
IP(EA), eV:	-8.81(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=C(C(=C3)C)NC(=O)CSC4=NC5=CC=CC=C5N4)N=C2C=C1NC(=O)CSC6=NC7=CC=CC=C7N6

DOS

IR

Vibrations