Geometry & MOs

Info

ID:	37572
PubChem CID:	8022298
Reduced:	ClNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	321.113171
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	3.63
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations