Geometry & MOs

Info

ID:	344323
PubChem CID:	127267499
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	8.82
IP(EA), eV:	-9.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[(1R,2R)-2-hydroxycyclobutyl]-N-(2-methylprop-2-enyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NC=C(C1=O)NS(=O)(=O)C2=C(C=C(C=C2)C)C

DOS

IR

Vibrations