Geometry & MOs

Info

ID:	130515
PubChem CID:	51091010
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	40.36
Dipole, Da:	6.81
IP(EA), eV:	-8.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)CSC2=NC=C3N2C=CC=C3

DOS

IR

Vibrations