Geometry & MOs

Info

ID:	426060
PubChem CID:	135135702
Reduced:	SN3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	474.102559
ΔH_f, kcal/mol:	46.19
Dipole, Da:	2.74
IP(EA), eV:	-8.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,6-dichloro-2-fluorobenzoyl)-N-[4-(piperazin-1-ylmethyl)phenyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)N)SNN2

DOS

IR

Vibrations