Geometry & MOs

Info

ID:	135721
PubChem CID:	51921330
Reduced:	N2O4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	-206.85
Dipole, Da:	5.15
IP(EA), eV:	-9.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (2R)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations