Geometry & MOs

Info

ID:

215303

PubChem CID:

85084514

Reduced:

O7N12C38H66 (1)

Stoich.:

A7B12C38D66 (1)

Weight, g/mol:

802.486728

ΔHf, kcal/mol:

-328.75

Dipole, Da:

6.82

IP(EA), eV:

 -8.85(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[2-[5-ethyl-5-[5-[2-(4-methoxyphenyl)-6,8-dimethyl-1,3,10-trioxaspiro[4.5]decan-9-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate

Drug info:

PubChemData

Smile

CCC(C)C(CNC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations