Geometry & MOs

Info

ID:	11701
PubChem CID:	119359
Reduced:	NCl2O4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	303.006513
ΔH_f, kcal/mol:	-153.93
Dipole, Da:	5.26
IP(EA), eV:	-9.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dichlorophenyl)carbamoyloxy]-2-methylbut-3-enoic acid

Drug info:

PubChemData

Smile

CC(C=C)(C(=O)O)OC(=O)NC1=CC(=CC(=C1)Cl)Cl

DOS

IR

Vibrations