Geometry & MOs

Info

ID:	134854
PubChem CID:	51769068
Reduced:	SN3O7C26H27 (1)
Stoich.:	AB3C7D26E27 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-129.34
Dipole, Da:	9.68
IP(EA), eV:	-9.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2S)-N-cyclohexyl-2-[[(2S)-2-methoxy-2-phenylacetyl]-methylamino]pent-3-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])N(C)C(=O)[C@H](C3=CC=CC=C3)OC

DOS

IR

Vibrations