Geometry & MOs

Info

ID:	33165
PubChem CID:	7885247
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-157.95
Dipole, Da:	8.52
IP(EA), eV:	-9.53(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C

DOS

IR

Vibrations