Geometry & MOs

Info

ID:	53993
PubChem CID:	14719315
Reduced:	NSO3C30H43 (1)
Stoich.:	ABC3D30E43 (1)
Weight, g/mol:	539.343316
ΔH_f, kcal/mol:	-143.39
Dipole, Da:	4.77
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-[6,6-dimethyl-3-[[2-phenylsulfanyl-2-(4-propylcyclohexyl)acetyl]amino]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1(C2CC1C(C(C2)NC(=O)C(C3CCCCC3)SC4=CC=CC=C4)C/C=C/CCCC(=O)O)C

DOS

IR

Vibrations