Geometry & MOs

Info

ID:	178219
PubChem CID:	76297782
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	494.159946
ΔH_f, kcal/mol:	-106.82
Dipole, Da:	3.15
IP(EA), eV:	-8.93(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CCC(=O)NCC3=CC(=CC=C3)NC(=O)COC)C

DOS

IR

Vibrations