Geometry & MOs

Info

ID:	63614
PubChem CID:	26758777
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-159.84
Dipole, Da:	5.92
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations