Geometry & MOs

Info

ID:	264085
PubChem CID:	103427027
Reduced:	SO3N4C13H22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-131.33
Dipole, Da:	3.57
IP(EA), eV:	-8.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-5-(cycloheptylamino)-4-methoxythiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=C(S1)NCCCOC)C(=O)N)N

DOS

IR

Vibrations