Geometry & MOs

Info

ID:	33139
PubChem CID:	7885111
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-143.79
Dipole, Da:	5.5
IP(EA), eV:	-9.26(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-acetylanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2OC)C

DOS

IR

Vibrations