Geometry & MOs

Info

ID:	35941
PubChem CID:	7980524
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	414.0049
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	5.76
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations