Geometry & MOs

Info

ID:	264036
PubChem CID:	103419945
Reduced:	NOSC7H12 (2)
Stoich.:	ABCD7E12 (2)
Weight, g/mol:	313.182398
ΔH_f, kcal/mol:	-105.68
Dipole, Da:	5.6
IP(EA), eV:	-8.03(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(hexylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C1=C(C(=C(S1)C(=O)OCC)N)SC

DOS

IR

Vibrations