Geometry & MOs

Info

ID:	33861
PubChem CID:	7888482
Reduced:	N2S2O3H14C19 (1)
Stoich.:	A2B2C3D14E19 (1)
Weight, g/mol:	405.060569
ΔH_f, kcal/mol:	-4.06
Dipole, Da:	1.8
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations