Geometry & MOs

Info

ID:	402546
PubChem CID:	135056337
Reduced:	ClIN2S2C7H10 (1)
Stoich.:	ABC2D2E7F10 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	37.92
Dipole, Da:	4.38
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CSC(=C1[NH+]=C(N)SC)Cl.[I-]

DOS

IR

Vibrations