Geometry & MOs

Info

ID:

82502

PubChem CID:

49856109

Reduced:

O2P2C73H100 (1)

Stoich.:

A2B2C73D100 (1)

Weight, g/mol:

707.345818

ΔHf, kcal/mol:

-147.46

Dipole, Da:

2.12

IP(EA), eV:

 -8.03(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2R,3S,4R,6R)-6-[(1S,12R)-3,10-dimethoxy-6-methyl-8-phenylmethoxy-15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10,13-hexaen-1-yl]-2-methyl-3-phenylmethoxyoxan-4-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](OC2=C(C(=CC=C2)P(C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C5=C(O1)C=CC=C5P(C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations