Geometry & MOs

Info

ID:	33377
PubChem CID:	7886143
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	398.11227
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	4.86
IP(EA), eV:	-8.61(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4)C

DOS

IR

Vibrations