Geometry & MOs

Info

ID:	31765
PubChem CID:	3718016
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	371.152829
ΔH_f, kcal/mol:	12.28
Dipole, Da:	2.28
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=NN=CC2=CC=CC=C2)S1)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations