Geometry & MOs

Info

ID:	63430
PubChem CID:	26758327
Reduced:	SF3O3N5H16C17 (1)
Stoich.:	AB3C3D5E16F17 (1)
Weight, g/mol:	493.178376
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	5.31
IP(EA), eV:	-9.07(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations