Geometry & MOs

Info

ID:	57991
PubChem CID:	24398148
Reduced:	SN2O2C11H13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	-105.76
Dipole, Da:	2.98
IP(EA), eV:	-8.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations