Geometry & MOs

Info

ID:

215485

PubChem CID:

85084806

Reduced:

O12N13C42H71 (1)

Stoich.:

A12B13C42D71 (1)

Weight, g/mol:

950.320844

ΔHf, kcal/mol:

-562.92

Dipole, Da:

6.29

IP(EA), eV:

 -8.93(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 2-[6-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)oxycarbonyl]-2,3,4-trimethoxyphenyl]-3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N

DOS

IR

Vibrations