Geometry & MOs

Info

ID:	154133
PubChem CID:	56313523
Reduced:	O2S2N3C20H29 (1)
Stoich.:	A2B2C3D20E29 (1)
Weight, g/mol:	342.070197
ΔH_f, kcal/mol:	-112.89
Dipole, Da:	5.14
IP(EA), eV:	-8.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)C(C)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

DOS

IR

Vibrations