Geometry & MOs

Info

ID:	60570
PubChem CID:	26697207
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	459.128649
ΔH_f, kcal/mol:	-119.07
Dipole, Da:	7.33
IP(EA), eV:	-8.81(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-(4-ethylanilino)-3-oxopropyl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations