Geometry & MOs

Info

ID:	424957
PubChem CID:	135124568
Reduced:	SO5N6C31H40 (1)
Stoich.:	AB5C6D31E40 (1)
Weight, g/mol:	497.192626
ΔH_f, kcal/mol:	-120.03
Dipole, Da:	4.5
IP(EA), eV:	-8.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)C(CC(=O)NCCO)C4=C(C5=C(C=C4)N(N=N5)CC)C)C

DOS

IR

Vibrations