Geometry & MOs

Info

ID:	426852
PubChem CID:	135154170
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	245.969793
ΔH_f, kcal/mol:	-149.38
Dipole, Da:	7.7
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;2,2-dichloroacetic acid

Drug info:

PubChemData

Smile

COCOCCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3

DOS

IR

Vibrations