Geometry & MOs

Info

ID:	62458
PubChem CID:	26719741
Reduced:	ClNO2F4H8C16 (1)
Stoich.:	ABC2D4E8F16 (1)
Weight, g/mol:	498.076469
ΔH_f, kcal/mol:	-201.86
Dipole, Da:	3.85
IP(EA), eV:	-9.24(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-chlorophenyl)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C(=C(C(=C2F)F)F)F)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations