Geometry & MOs

Info

ID:	42463
PubChem CID:	8149582
Reduced:	N2O4C25H36 (1)
Stoich.:	A2B4C25D36 (1)
Weight, g/mol:	428.267508
ΔH_f, kcal/mol:	-190.37
Dipole, Da:	5.56
IP(EA), eV:	-9.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC=CC=C2C(=O)N(C)C3CCCCC3

DOS

IR

Vibrations