Geometry & MOs

Info

ID:	27101
PubChem CID:	814309
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-53.73
Dipole, Da:	5.22
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=NC(=C(S1)C)C)C(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations