Geometry & MOs

Info

ID:	406888
PubChem CID:	135078856
Reduced:	ClNSSnC32H42 (1)
Stoich.:	ABCDE32F42 (1)
Weight, g/mol:	391.00891
ΔH_f, kcal/mol:	36.35
Dipole, Da:	7.13
IP(EA), eV:	-8.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4S,5R,6E)-7-(2-bromo-1,3-thiazol-4-yl)-3,4,5-trimethoxyhepta-2,6-dienoate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(C1=CC=C(C=C1)Cl)C2=CC=CC=C2NC(=S)C3=CC=CC=C3

DOS

IR

Vibrations