Geometry & MOs

Info

ID:

44749

PubChem CID:

10505733

Reduced:

N7C31H35 (1)

Stoich.:

A7B31C35 (1)

Weight, g/mol:

505.319209

ΔHf, kcal/mol:

141.08

Dipole, Da:

2.97

IP(EA), eV:

 -8.3(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,12aS,14bS)-11-cyano-1,2,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-2,3,4,5,6,6a,7,8,8a,14b-decahydro-1H-picene-4a-carboxylate

Drug info:

PubChemData

Smile

C=CCNC1=C2C(=NC(=N1)N3CCC(CC3)NC4C5=CC=CC=C5CCC6=CC=CC=C46)N(C=N2)CC=C

DOS

IR

Vibrations