Geometry & MOs

Info

ID:

329550

PubChem CID:

126738073

Reduced:

O2N6C31H32 (1)

Stoich.:

A2B6C31D32 (1)

Weight, g/mol:

440.365431

ΔHf, kcal/mol:

49.38

Dipole, Da:

7.06

IP(EA), eV:

 -8.55(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aS,6aR,6bR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde

Drug info:

PubChemData

Smile

C[C@@H](C(C)(C)C)NCC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC(=C4)NC(=O)C=C

DOS

IR

Vibrations