Geometry & MOs

Info

ID:	243342
PubChem CID:	99218775
Reduced:	ClO2S2N5H14C18 (1)
Stoich.:	AB2C2D5E14F18 (1)
Weight, g/mol:	421.161326
ΔH_f, kcal/mol:	50.66
Dipole, Da:	3.93
IP(EA), eV:	-8.91(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2-oxo-5-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CC(=O)NNC(=O)C3=CSC(=N3)C4=CC=C(S4)Cl

DOS

IR

Vibrations