Geometry & MOs

Info

ID:	62010
PubChem CID:	26716963
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	488.155198
ΔH_f, kcal/mol:	-45.88
Dipole, Da:	0.83
IP(EA), eV:	-8.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNC(=O)C(C)(C)C

DOS

IR

Vibrations