Geometry & MOs

Info

ID:	73176
PubChem CID:	48417149
Reduced:	FO2N4H9C15 (1)
Stoich.:	AB2C4D9E15 (1)
Weight, g/mol:	407.105211
ΔH_f, kcal/mol:	13.63
Dipole, Da:	4.66
IP(EA), eV:	-9.38(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)C(=O)N3C(=C(C=N3)C#N)N)F

DOS

IR

Vibrations