Geometry & MOs

Info

ID:	178224
PubChem CID:	76298252
Reduced:	S2N5O5C21H29 (1)
Stoich.:	A2B5C5D21E29 (1)
Weight, g/mol:	456.16314
ΔH_f, kcal/mol:	-177.73
Dipole, Da:	7.64
IP(EA), eV:	-8.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)CCC2NC3C(C(=C(S3)C)C)C(=O)N2

DOS

IR

Vibrations