Geometry & MOs

Info

ID:	181575
PubChem CID:	76762265
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	510.170369
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	4.84
IP(EA), eV:	-9.18(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-7-methoxy-1-(1-methylsulfonylpyrrolidin-3-yl)-4a,5,6,6a,7,8,9,10,10a,10b-decahydropyrimido[5,4-c]quinoline-2,4-dione

Drug info:

PubChemData

Smile

COC1CCCC2C1NCC3C2N(C(=O)N(C3=O)C4=CC=CC=C4)C5CCCC5

DOS

IR

Vibrations