Geometry & MOs

Info

ID:	125489
PubChem CID:	50926145
Reduced:	S2N3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	387.107519
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	6.15
IP(EA), eV:	-8.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[3-(2-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4C)SC=C3

DOS

IR

Vibrations