Geometry & MOs

Info

ID:	264060
PubChem CID:	103422574
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	285.096955
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	7.04
IP(EA), eV:	-7.98(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-cyclopropyl-4-methylsulfanyl-5-(propylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C2=CC(=C(S2)C(=O)NCC=C)N

DOS

IR

Vibrations