Geometry & MOs

Info

ID:

422021

PubChem CID:

135117021

Reduced:

N2O5C19H26 (1)

Stoich.:

A2B5C19D26 (1)

Weight, g/mol:

628.213775

ΔHf, kcal/mol:

-132.93

Dipole, Da:

7.53

IP(EA), eV:

 -8.83(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-11-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-21-methyl-17-(2-methylsulfanylethyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)C

DOS

IR

Vibrations