Geometry & MOs

Info

ID:	156216
PubChem CID:	56369607
Reduced:	ClSN3O5C18H20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	364.05865
ΔH_f, kcal/mol:	-150.93
Dipole, Da:	5.65
IP(EA), eV:	-9.32(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NNC(=O)CC2CCS(=O)(=O)C2)Cl)N3C=CC=C3

DOS

IR

Vibrations