Geometry & MOs

Info

ID:	132108
PubChem CID:	51306451
Reduced:	N2O5C21H30 (1)
Stoich.:	A2B5C21D30 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-200.06
Dipole, Da:	5.67
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

C/C=C/C1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC)OC

DOS

IR

Vibrations