Geometry & MOs

Info

ID:	33309
PubChem CID:	7885894
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	420.128983
ΔH_f, kcal/mol:	-38.12
Dipole, Da:	3.64
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations