Geometry & MOs

Info

ID:	196843
PubChem CID:	78885078
Reduced:	S2N3O3C12H19 (1)
Stoich.:	A2B3C3D12E19 (1)
Weight, g/mol:	400.01893
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	1.67
IP(EA), eV:	-8.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=N2)NC(=O)C(C)S(=O)(=O)C

DOS

IR

Vibrations