Geometry & MOs

Info

ID:	245129
PubChem CID:	99437682
Reduced:	S2N3O5C21H25 (1)
Stoich.:	A2B3C5D21E25 (1)
Weight, g/mol:	430.04687
ΔH_f, kcal/mol:	-165.03
Dipole, Da:	1.7
IP(EA), eV:	-8.84(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-(difluoromethylsulfonyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3C[C@@H](CC4=CC=CC=C43)C(=O)N

DOS

IR

Vibrations