Geometry & MOs

Info

ID:	132192
PubChem CID:	51318120
Reduced:	ClOSN4H13C14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	52.38
Dipole, Da:	4.88
IP(EA), eV:	-8.81(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC2=NC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations