Geometry & MOs

Info

ID:	27065
PubChem CID:	814125
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-27.87
Dipole, Da:	4.8
IP(EA), eV:	-9.28(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC(=O)NC1=NOC=C1)C(=O)[C@@H]2C[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations