Geometry & MOs

Info

ID:	33120
PubChem CID:	7884979
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	4.61
IP(EA), eV:	-9.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations