Geometry & MOs

Info

ID:	138103
PubChem CID:	52314866
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	283.108754
ΔH_f, kcal/mol:	-89.17
Dipole, Da:	2.64
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(carbamoylamino)-N-(3-chloro-4-methylphenyl)pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3C=C2)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations