Geometry & MOs

Info

ID:	33167
PubChem CID:	7885252
Reduced:	NCl2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-112.09
Dipole, Da:	2.25
IP(EA), eV:	-9.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC(=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations