Geometry & MOs

Info

ID:	33191
PubChem CID:	7885336
Reduced:	ClN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-144.39
Dipole, Da:	6.87
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC(=CC=C2)Cl)C

DOS

IR

Vibrations