Geometry & MOs

Info

ID:	62090
PubChem CID:	26717515
Reduced:	SN3O3C26H37 (1)
Stoich.:	AB3C3D26E37 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	10.29
IP(EA), eV:	-8.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations