Geometry & MOs

Info

ID:	347540
PubChem CID:	127272395
Reduced:	SN4O5C16H20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	4.25
IP(EA), eV:	-9.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidine-1-carbonyl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CN=CC=C3

DOS

IR

Vibrations