Geometry & MOs

Info

ID:	152851
PubChem CID:	56311930
Reduced:	ClFSO3N4C23H30 (1)
Stoich.:	ABCD3E4F23G30 (1)
Weight, g/mol:	476.204611
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	7.18
IP(EA), eV:	-8.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations