Geometry & MOs

Info

ID:	188498
PubChem CID:	77724135
Reduced:	NOSC18H19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	460.26136
ΔH_f, kcal/mol:	13.68
Dipole, Da:	2.72
IP(EA), eV:	-8.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[4-(4-ethylbenzoyl)oxyphenyl]-4-hexan-2-ylcyclohexa-1,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(C1=CC=CC=C1)OC2=CC3=C(C=C2)SC=C3)N

DOS

IR

Vibrations