Geometry & MOs

Info

ID:	139558
PubChem CID:	52557540
Reduced:	O2S2N4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	417.09139
ΔH_f, kcal/mol:	-23.22
Dipole, Da:	6.11
IP(EA), eV:	-8.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-cyanophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H]1CCN(C1)CC2=CC=CC=C2)SC3=NC4=C(C(=O)N3C)SC=C4

DOS

IR

Vibrations