Geometry & MOs

Info

ID:	156121
PubChem CID:	56369225
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	402.03906
ΔH_f, kcal/mol:	-183.29
Dipole, Da:	2.98
IP(EA), eV:	-9.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1CCN(CC1)C(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations