Geometry & MOs

Info

ID:	192273
PubChem CID:	78250936
Reduced:	OSN2C23H34 (1)
Stoich.:	ABC2D23E34 (1)
Weight, g/mol:	416.134542
ΔH_f, kcal/mol:	-66.53
Dipole, Da:	3.16
IP(EA), eV:	-8.86(0.05)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCSC1NC2C(C(=O)N1)C(CC3=CC=CC=C23)(C)C4CCCCC4

DOS

IR

Vibrations