Geometry & MOs

Info

ID:	193034
PubChem CID:	78337570
Reduced:	F3O4N5H20C21 (1)
Stoich.:	A3B4C5D20E21 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-200.79
Dipole, Da:	11.84
IP(EA), eV:	-9.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethoxymethyl)-6-naphthalen-2-ylsulfonyl-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CC2C1NC(NC2=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations