Geometry & MOs

Info

ID:	219214
PubChem CID:	85091714
Reduced:	O5C9H12 (4)
Stoich.:	A5B9C12 (4)
Weight, g/mol:	461.314123
ΔH_f, kcal/mol:	-812.5
Dipole, Da:	8.53
IP(EA), eV:	-8.7(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-[(4-hydroxy-3-methoxyphenyl)methylamino]-17-oxoheptadec-8-en-6-yl] acetate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OCCC4=CC(=C(C=C4)O)O)CO)OC(=O)C=CC5=CC(=C(C=C5)O)OC)O)O)O

DOS

IR

Vibrations