Geometry & MOs

Info

ID:	23987
PubChem CID:	607328
Reduced:	NCl3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	367.014491
ΔH_f, kcal/mol:	-180.55
Dipole, Da:	2.73
IP(EA), eV:	-9.42(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]butanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)NC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations