Geometry & MOs

Info

ID:	62646
PubChem CID:	26732605
Reduced:	NO2H10C12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	473.107913
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	2.39
IP(EA), eV:	-9.03(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=CC3=CC=CC=C3C=C2)/C#N

DOS

IR

Vibrations