Geometry & MOs

Info

ID:	425176
PubChem CID:	135125426
Reduced:	N3O4C27H27 (1)
Stoich.:	A3B4C27D27 (1)
Weight, g/mol:	497.192626
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	2.09
IP(EA), eV:	-7.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)NC(=O)C)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations