Geometry & MOs

Info

ID:	31318
PubChem CID:	855568
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-53.83
Dipole, Da:	5.18
IP(EA), eV:	-8.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)N

DOS

IR

Vibrations