Geometry & MOs

Info

ID:	233140
PubChem CID:	87692555
Reduced:	ClFSN4O4C18H18 (1)
Stoich.:	ABCD4E4F18G18 (1)
Weight, g/mol:	200.068473
ΔH_f, kcal/mol:	-86.14
Dipole, Da:	8.41
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-oxo-4-(2-prop-2-enoxyethoxy)but-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C(=CC=C2)Cl)/C=N/N(F)S(=O)(=O)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations