Geometry & MOs

Info

ID:	340183
PubChem CID:	127262192
Reduced:	ClN2O4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	464.192292
ΔH_f, kcal/mol:	-142.01
Dipole, Da:	6.3
IP(EA), eV:	-9.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-methyl-1-phenyl-2-[[(3R)-1,1,1-trifluoro-2-oxo-5-phenylpentan-3-yl]carbamoyl]butyl] carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)CCl)NC(=O)[C@@H](CC1=CC=CC=C1)C(C2=CC=CC=C2)OC(=O)N

DOS

IR

Vibrations