Geometry & MOs

Info

ID:	366667
PubChem CID:	127320196
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	393.183461
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	1.49
IP(EA), eV:	-9.0(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)CN2CCCC2C(=O)NC3=NC=CS3

DOS

IR

Vibrations