Geometry & MOs

Info

ID:	27064
PubChem CID:	814122
Reduced:	NSO4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-87.1
Dipole, Da:	3.66
IP(EA), eV:	-8.19(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OC

DOS

IR

Vibrations