Geometry & MOs

Info

ID:	244996
PubChem CID:	99432030
Reduced:	ClSO3N4H17C19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	354.103814
ΔH_f, kcal/mol:	-23.04
Dipole, Da:	3.16
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=N2)C(=O)NCC3=C4C(=CC=C3)OCCO4)Cl

DOS

IR

Vibrations