Geometry & MOs

Info

ID:	164313
PubChem CID:	74382823
Reduced:	NOSC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	473.0997
ΔH_f, kcal/mol:	-27.93
Dipole, Da:	5.01
IP(EA), eV:	-8.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-2-chloro-5-(4-chloro-2-methylpyrazol-3-yl)-1-methylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)S(=O)C

DOS

IR

Vibrations