Geometry & MOs

Info

ID:	196002
PubChem CID:	78764068
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	359.076219
ΔH_f, kcal/mol:	31.66
Dipole, Da:	2.9
IP(EA), eV:	-8.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1CC=C)SC(C)C(=O)C2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations