Geometry & MOs

Info

ID:	187828
PubChem CID:	77631102
Reduced:	SN2O5H30C31 (1)
Stoich.:	AB2C5D30E31 (1)
Weight, g/mol:	435.184586
ΔH_f, kcal/mol:	-142.66
Dipole, Da:	8.71
IP(EA), eV:	-9.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[2-(2-fluorophenyl)acetyl]amino]-4-phenylcyclohexa-2,5-dien-1-yl]-3-hydroxycyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CC=C(S2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations