Geometry & MOs

Info

ID:	121110
PubChem CID:	50756282
Reduced:	SN3O3C24H35 (1)
Stoich.:	AB3C3D24E35 (1)
Weight, g/mol:	468.16314
ΔH_f, kcal/mol:	-127.75
Dipole, Da:	2.53
IP(EA), eV:	-8.43(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)C=C3N2CC(N(C3=O)CCCOCC)(C)C(=O)NC4CCCCC4

DOS

IR

Vibrations