Geometry & MOs

Info

ID:	123336
PubChem CID:	50842853
Reduced:	S2N3O5C20H21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	421.112999
ΔH_f, kcal/mol:	-82.27
Dipole, Da:	7.18
IP(EA), eV:	-8.76(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-5-[(E)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethenyl]-1,2-oxazol-4-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(ON=C1C)/C=C/C2=CC=C(S2)S(=O)(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations