Geometry & MOs

Info

ID:	60453
PubChem CID:	26687012
Reduced:	SN3O4H15C21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-55.47
Dipole, Da:	3.6
IP(EA), eV:	-9.48(-2.02)
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-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC(=CS4)C(=O)C

DOS

IR

Vibrations