Geometry & MOs

Info

ID:

222987

PubChem CID:

85333672

Reduced:

N5O5C18H30 (2)

Stoich.:

A5B5C18D30 (2)

Weight, g/mol:

796.435755

ΔHf, kcal/mol:

-475.59

Dipole, Da:

2.05

IP(EA), eV:

 -9.03(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6,14-dihydroxy-2,4,6,8,10,14-hexamethyl-11,17-dioxo-12,16,18-trioxa-2-azabicyclo[13.3.0]octadecan-9-yl] 2-(methoxymethoxy)-2-phenylacetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations