Geometry & MOs

Info

ID:	149887
PubChem CID:	53789567
Reduced:	N2O7C31H42 (1)
Stoich.:	A2B7C31D42 (1)
Weight, g/mol:	536.204633
ΔH_f, kcal/mol:	-287.14
Dipole, Da:	6.67
IP(EA), eV:	-8.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxyphenyl)-4-(4-methoxy-3-methylphenyl)-4-oxo-3-[(2,4,6-trimethoxyphenyl)methyl]but-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C)CCN2CCOCC2)C(=O)OCC)C3=CC=CC=C3C=CC(=O)OC(C)(C)C

DOS

IR

Vibrations