Geometry & MOs

Info

ID:	33168
PubChem CID:	7885254
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-202.16
Dipole, Da:	4.0
IP(EA), eV:	-9.55(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@H](C)OC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations