Geometry & MOs

Info

ID:

170267

PubChem CID:

75214609

Reduced:

N6O7C38H60 (1)

Stoich.:

A6B7C38D60 (1)

Weight, g/mol:

448.209718

ΔHf, kcal/mol:

-352.57

Dipole, Da:

2.6

IP(EA), eV:

 -9.29(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10-acetyloxy-6,9-dihydroxy-1,2',4a-trimethyl-5,8-dioxospiro[3,4,6,9,10,10a-hexahydro-2H-phenanthrene-7,1'-cyclopropane]-1-yl)methyl acetate

Drug info:

PubChemData

Smile

CCC1CC1(C(=O)C(=O)N)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C4(CCCCC4)C)NC(=O)NC(CN5C(=O)CC(CC5=O)(C)C)C(C)(C)C

DOS

IR

Vibrations