Geometry & MOs

Info

ID:	121112
PubChem CID:	50756357
Reduced:	SN4O4C24H26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	452.168225
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	8.17
IP(EA), eV:	-8.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[(4-fluorophenyl)methyl]-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CCN(C3)CC4=CC=CC=C4OC

DOS

IR

Vibrations