Geometry & MOs

Info

ID:	177758
PubChem CID:	76226370
Reduced:	ClNO5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	447.067399
ΔH_f, kcal/mol:	-167.53
Dipole, Da:	3.02
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 3-(3,4-dichlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C(=O)COC(=O)C=CC1=CC(=C(C(=C1)Cl)OC)OC

DOS

IR

Vibrations