Geometry & MOs

Info

ID:	122802
PubChem CID:	50822147
Reduced:	BrN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	396.07107
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	3.11
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-ethylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations