Geometry & MOs

Info

ID:	33149
PubChem CID:	7885168
Reduced:	N2O6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-215.06
Dipole, Da:	9.45
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2OC)C

DOS

IR

Vibrations