Geometry & MOs

Info

ID:	54339
PubChem CID:	17049497
Reduced:	SCl2O2N7H17C18 (1)
Stoich.:	AB2C2D7E17F18 (1)
Weight, g/mol:	463.074885
ΔH_f, kcal/mol:	66.7
Dipole, Da:	5.61
IP(EA), eV:	-8.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)N/N=C/C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations