Geometry & MOs

Info

ID:

189828

PubChem CID:

77910501

Reduced:

S3O19N25C67H115 (1)

Stoich.:

A3B19C25D67E115 (1)

Weight, g/mol:

449.32938

ΔHf, kcal/mol:

-894.23

Dipole, Da:

17.09

IP(EA), eV:

 -8.54(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-prop-2-enyl-4-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CCCN=C(N)N)CCSC)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(C)NC(=O)C)C(=O)NC(CC(=O)O)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)N)CCCN=C(N)N

DOS

IR

Vibrations