Geometry & MOs

Info

ID:

219718

PubChem CID:

85164669

Reduced:

N6O7C28H40 (1)

Stoich.:

A6B7C28D40 (1)

Weight, g/mol:

572.208004

ΔHf, kcal/mol:

-306.48

Dipole, Da:

7.99

IP(EA), eV:

 -9.44(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 12-acetyloxy-4-methyl-13-methylidene-5-(4-methylphenyl)sulfonyloxytetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CC3=CC=CC=C3)NC(C)C(=O)OC)C(C)C

DOS

IR

Vibrations