Geometry & MOs

Info

ID:	52509
PubChem CID:	12015393
Reduced:	S2N3O5C21H25 (1)
Stoich.:	A2B3C5D21E25 (1)
Weight, g/mol:	447.128649
ΔH_f, kcal/mol:	-179.91
Dipole, Da:	10.7
IP(EA), eV:	-8.5(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(4-methylphenyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations