Geometry & MOs

Info

ID:

393139

PubChem CID:

135019489

Reduced:

NO6C11H21 (1)

Stoich.:

AB6C11D21 (1)

Weight, g/mol:

613.29993

ΔHf, kcal/mol:

-256.59

Dipole, Da:

1.32

IP(EA), eV:

-10.21(0.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3E,5E,7R,8S,12S,13S,14E,16S)-22-(carbamoyloxymethyl)-8-hydroxy-7-methoxy-3,13,15-trimethyl-10,18-dioxo-11-oxa-9,19-diazatricyclo[18.3.1.18,12]pentacosa-1(23),3,5,14,20(24),21-hexaen-16-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

CC(=O)COCC(=O)NCCOCCOCCO

DOS

IR

Vibrations