Geometry & MOs

Info

ID:	121111
PubChem CID:	50756315
Reduced:	FSO3N4C24H25 (1)
Stoich.:	ABC3D4E24F25 (1)
Weight, g/mol:	466.167477
ΔH_f, kcal/mol:	-92.49
Dipole, Da:	10.04
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2CCC3=C(C2)C(=O)N=C(N3)SCC(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations