Geometry & MOs

Info

ID:	193480
PubChem CID:	78399134
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	434.043627
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	9.42
IP(EA), eV:	-9.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-3-cyano-2-oxopent-4-enyl) 2,2-bis(4-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)OCC(=O)C(=C2NC3CCCCC3N2)C#N

DOS

IR

Vibrations