Geometry & MOs

Info

ID:

324143

PubChem CID:

126677020

Reduced:

SN2H18C19 (1)

Stoich.:

AB2C18D19 (1)

Weight, g/mol:

761.312353

ΔHf, kcal/mol:

69.2

Dipole, Da:

2.13

IP(EA), eV:

 -8.25(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(E)-3-[6-[(Z)-3-[3-[(Z)-3-(dimethylaminosulfanyl)prop-2-enoyl]oxypropoxy]-3-oxoprop-1-enyl]sulfanyl-2,3-dimethylhexan-2-yl]sulfanylprop-2-enoyl]oxypropyl (E)-3-(5,5-dimethylhexylsulfanyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1C3=CC4=C(N3C)C=CC(=C4)C)SC=N2

DOS

IR

Vibrations