Geometry & MOs

Info

ID:	181829
PubChem CID:	76800160
Reduced:	O3C23H32 (1)
Stoich.:	A3B23C32 (1)
Weight, g/mol:	552.319937
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	7.22
IP(EA), eV:	-8.58(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(19-but-3-enyl-13-hydroxy-4,8,10,12,14,16-hexamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl) carbamate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C4(OCCO4)C)CCC5=CC(=O)C=CC35C

DOS

IR

Vibrations