Geometry & MOs

Info

ID:	189010
PubChem CID:	77802609
Reduced:	NF2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	558.129997
ΔH_f, kcal/mol:	-250.66
Dipole, Da:	2.01
IP(EA), eV:	-9.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-cyclopropyl-4-[(3,5-dichlorophenyl)methyl-methoxycarbonylamino]-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(C(C1=CC(=C(C=C1)F)F)(C(=O)OCC2=CC=CC=C2)N)O

DOS

IR

Vibrations