Geometry & MOs

Info

ID:	179261
PubChem CID:	76456905
Reduced:	BrO5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	706.626397
ΔH_f, kcal/mol:	-229.08
Dipole, Da:	11.29
IP(EA), eV:	-10.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-octadec-9-en-3-yl-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCC3(C(C1CCC2C(=O)CO)CCC4=CC(=O)CC(C43C)C(=O)Br)O

DOS

IR

Vibrations