Geometry & MOs

Info

ID:	60490
PubChem CID:	26697088
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	423.185472
ΔH_f, kcal/mol:	-158.75
Dipole, Da:	7.22
IP(EA), eV:	-7.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NCCN3CCOCC3)OC

DOS

IR

Vibrations