Geometry & MOs

Info

ID:	217112
PubChem CID:	85087275
Reduced:	NOC23H27 (1)
Stoich.:	ABC23D27 (1)
Weight, g/mol:	333.097915
ΔH_f, kcal/mol:	11.96
Dipole, Da:	2.19
IP(EA), eV:	-7.63(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-chloro-2-hydroxy-4-oxocyclohexyl)-2-(prop-2-enoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(N(C=C1)C(C)C2=CC=CC=C2)CC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations