Geometry & MOs

Info

ID:	149789
PubChem CID:	53789465
Reduced:	SCl2N2H4C5O5 (1)
Stoich.:	AB2C2D4E5F5 (1)
Weight, g/mol:	604.340004
ΔH_f, kcal/mol:	-222.23
Dipole, Da:	1.69
IP(EA), eV:	-11.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[3,5-bis(but-2-enyl)-4-(2,2-dimethylpropanoyloxy)-2-propoxyphenyl]-2-methoxyprop-2-enoyl]phenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1(=C(NC(=O)NC1=O)O)S(=O)(=O)C(Cl)Cl

DOS

IR

Vibrations