Geometry & MOs

Info

ID:

398803

PubChem CID:

135035470

Reduced:

O2N6H32C33 (1)

Stoich.:

A2B6C32D33 (1)

Weight, g/mol:

531.301845

ΔHf, kcal/mol:

56.86

Dipole, Da:

6.63

IP(EA), eV:

 -9.26(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-hex-5-enyl-N-[2-[4-hex-5-enyl-4-(hydroxymethyl)-2,6-dimethoxycyclohexa-2,5-dien-1-yl]ethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(N=C2C=C1)N4C(=C(N=N4)C5=CC=CC=C5)C(=O)N(C3C(=O)NC(C)(C)C)CCC6=CC=CC=C6

DOS

IR

Vibrations