Geometry & MOs

Info

ID:	170799
PubChem CID:	75281446
Reduced:	N2O5C27H30 (1)
Stoich.:	A2B5C27D30 (1)
Weight, g/mol:	526.157386
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	3.1
IP(EA), eV:	-8.78(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCC(C2=CC=CO2)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations