Geometry & MOs

Info

ID:

13583

PubChem CID:

301215

Reduced:

O3N6C63H112 (1)

Stoich.:

A3B6C63D112 (1)

Weight, g/mol:

1000.879591

ΔHf, kcal/mol:

-276.65

Dipole, Da:

2.47

IP(EA), eV:

 -8.48(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-N-[4-[[4-[5-(diethylamino)pentan-2-yl-hexadecanoylamino]phenyl]carbamoylamino]phenyl]hexadecanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)N(C(C)CCCN(CC)CC)C(=O)CCCCCCCCCCCCCCC)C(C)CCCN(CC)CC

DOS

IR

Vibrations