Geometry & MOs

Info

ID:	37383
PubChem CID:	8020409
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-99.79
Dipole, Da:	3.05
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)COC(=O)C3CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations