Geometry & MOs

Info

ID:	83639
PubChem CID:	49859515
Reduced:	NO3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	347.173273
ΔH_f, kcal/mol:	-206.79
Dipole, Da:	1.87
IP(EA), eV:	-9.35(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R,6S)-6-(3-methoxyphenyl)-5-methyl-6-(prop-2-enoxycarbonylamino)hex-3-enoate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C(=O)[C@@H]3CC[C@@H]4[C@H]([C@@H]3C2=O)[C@H]([C@@H](CC4=NOCC5=CC=CC=C5)O)O

DOS

IR

Vibrations