Geometry & MOs

Info

ID:	262418
PubChem CID:	103292446
Reduced:	ClSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	302.085577
ΔH_f, kcal/mol:	-38.46
Dipole, Da:	2.47
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(=O)NCC2=C(C=CC=C2Cl)OC)N

DOS

IR

Vibrations