Geometry & MOs

Info

ID:	138030
PubChem CID:	52301432
Reduced:	S2O3N4H22C24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	28.13
Dipole, Da:	5.36
IP(EA), eV:	-9.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoylamino]-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)[C@H](C#N)C2=NC(=CS2)C3=CC=CC=N3)S(=O)(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations