Geometry & MOs

Info

ID:	347337
PubChem CID:	127272186
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	332.14193
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	5.65
IP(EA), eV:	-9.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations