Geometry & MOs

Info

ID:	320285
PubChem CID:	126659264
Reduced:	N3O3C30H31 (1)
Stoich.:	A3B3C30D31 (1)
Weight, g/mol:	506.177249
ΔH_f, kcal/mol:	-35.59
Dipole, Da:	4.92
IP(EA), eV:	-9.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]quinolin-3-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(CC[C@H]1NC(=O)C2=CC3=CC(=C(N=C3C=C2)C4=CC=CC=C4)CCCCC(=O)O)/C=C\C=N

DOS

IR

Vibrations