Geometry & MOs

Info

ID:	299740
PubChem CID:	117689060
Reduced:	SN2O2C17H28 (1)
Stoich.:	AB2C2D17E28 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-79.59
Dipole, Da:	3.91
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-5-[ethyl-(4-methylcyclohexyl)amino]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C1=C(C(=CS1)C(=O)OC)C)N2CCC(CC2)N(C)C

DOS

IR

Vibrations