Geometry & MOs

Info

ID:	125491
PubChem CID:	50926233
Reduced:	O2S2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	447.107519
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	2.65
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC(C)(C)C

DOS

IR

Vibrations