Geometry & MOs

Info

ID:	61334
PubChem CID:	26708237
Reduced:	SN2O3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-68.88
Dipole, Da:	3.69
IP(EA), eV:	-9.16(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)C3=CC=CC=C3

DOS

IR

Vibrations