Geometry & MOs

Info

ID:

168475

PubChem CID:

74974563

Reduced:

N14O14C79H102 (1)

Stoich.:

A14B14C79D102 (1)

Weight, g/mol:

362.22458

ΔHf, kcal/mol:

-542.23

Dipole, Da:

16.47

IP(EA), eV:

 -8.96(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-acetyl-5-phenyl-3-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCNCC(C)(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CO)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C

DOS

IR

Vibrations