Geometry & MOs

Info

ID:	190213
PubChem CID:	77969939
Reduced:	N5O14C24H47 (1)
Stoich.:	A5B14C24D47 (1)
Weight, g/mol:	440.401816
ΔH_f, kcal/mol:	-637.04
Dipole, Da:	3.44
IP(EA), eV:	-9.25(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(6,7,7,12,16-pentamethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)heptan-3-one

Drug info:

PubChemData

Smile

CNC1CC(C(C(C1O)OC2C(C(C(O2)CO)OC3C(C(C(C(O3)CN)O)O)N)O)OC4C(C(C(C(O4)CO)O)O)N)N

DOS

IR

Vibrations