Geometry & MOs

Info

ID:	395283
PubChem CID:	135025066
Reduced:	ClNOC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	440.219889
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	2.12
IP(EA), eV:	-9.19(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-16-methoxy-14-(methoxymethoxy)-4-methyl-5-phenylmethoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),7,13,15-tetraen-2-one

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C2)C4=CC=CC=C34)NC(=O)CCl

DOS

IR

Vibrations