Geometry & MOs

Info

ID:	53984
PubChem CID:	14719299
Reduced:	NSO3C29H41 (1)
Stoich.:	ABC3D29E41 (1)
Weight, g/mol:	483.280715
ΔH_f, kcal/mol:	-144.42
Dipole, Da:	2.94
IP(EA), eV:	-8.97(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1S,2S,3S,5R)-3-[(2-cyclopentyl-2-phenylsulfanylacetyl)amino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1(C2CC1C(C(C2)NC(=O)C(C3CCCC3)SC4=CC=CC=C4)C/C=C/CCCC(=O)O)C

DOS

IR

Vibrations