Geometry & MOs

Info

ID:	264080
PubChem CID:	103426366
Reduced:	N2S2O3C13H22 (1)
Stoich.:	A2B2C3D13E22 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	-140.16
Dipole, Da:	4.98
IP(EA), eV:	-8.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-cyclopropyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOCCCNC1=C(C(=C(S1)C(=O)OCC)N)SC

DOS

IR

Vibrations