Geometry & MOs

Info

ID:	381380
PubChem CID:	134972097
Reduced:	N5O5C29H33 (1)
Stoich.:	A5B5C29D33 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-178.2
Dipole, Da:	9.53
IP(EA), eV:	-8.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2R)-2-(methylamino)-5-phenylpent-4-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H]3CCN4[C@H]3CC(=O)N(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations