Geometry & MOs

Info

ID:	350243
PubChem CID:	127277321
Reduced:	SN3O3C12H23 (1)
Stoich.:	AB3C3D12E23 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-126.03
Dipole, Da:	5.36
IP(EA), eV:	-9.4(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCC(CC2)N(C)S(=O)(=O)C

DOS

IR

Vibrations