Geometry & MOs

Info

ID:

214451

PubChem CID:

85083057

Reduced:

NSO10C25H29 (1)

Stoich.:

ABC10D25E29 (1)

Weight, g/mol:

535.220617

ΔHf, kcal/mol:

-287.03

Dipole, Da:

6.98

IP(EA), eV:

 -9.77(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-(4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) 4-O-methyl 2-benzyl-2-hydroxybutanedioate

Drug info:

PubChemData

Smile

COC(=O)C(=C(COC(=O)OCCCCCCO[N+](=O)[O-])C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations