Geometry & MOs

Info

ID:

392065

PubChem CID:

135012534

Reduced:

SO4C16H24 (1)

Stoich.:

AB4C16D24 (1)

Weight, g/mol:

349.188923

ΔHf, kcal/mol:

-162.97

Dipole, Da:

7.58

IP(EA), eV:

-9.94(-0.72)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (Z)-3-(3,4-dimethoxyphenyl)-3-[[(Z)-7-hydroxyhept-5-enyl]amino]prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@@H](C=C)[C@H]([C@@H](C)COS(=O)(=O)C1=CC=C(C=C1)C)O

DOS

IR

Vibrations