Geometry & MOs

Info

ID:	152784
PubChem CID:	56311853
Reduced:	NSO7C21H23 (1)
Stoich.:	ABC7D21E23 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-239.92
Dipole, Da:	3.57
IP(EA), eV:	-8.8(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations