Geometry & MOs

Info

ID:	41965
PubChem CID:	8147964
Reduced:	OSN4C18H28 (1)
Stoich.:	ABC4D18E28 (1)
Weight, g/mol:	378.151433
ΔH_f, kcal/mol:	-15.73
Dipole, Da:	14.26
IP(EA), eV:	-7.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CC[NH+](CC3)CC=C(C)C)C

DOS

IR

Vibrations