Geometry & MOs

Info

ID:	63181
PubChem CID:	26746619
Reduced:	N3O6C25H25 (1)
Stoich.:	A3B6C25D25 (1)
Weight, g/mol:	280.06147
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	4.21
IP(EA), eV:	-8.97(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations