Geometry & MOs

Info

ID:	192587
PubChem CID:	78287608
Reduced:	NO3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	435.090722
ΔH_f, kcal/mol:	-232.94
Dipole, Da:	4.28
IP(EA), eV:	-8.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(C)O)C)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations