Geometry & MOs

Info

ID:	426153
PubChem CID:	135141442
Reduced:	FSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	428.221226
ΔH_f, kcal/mol:	19.31
Dipole, Da:	2.23
IP(EA), eV:	-9.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,4R)-1-acetyl-4-(2-aminoanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@]1(C2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)C4=C(N=CC(=C4)C#C)F

DOS

IR

Vibrations