Geometry & MOs

Info

ID:	375056
PubChem CID:	131465387
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	249.028059
ΔH_f, kcal/mol:	-67.35
Dipole, Da:	4.89
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]propanenitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CC(=C2CCl)N)CC(=O)O

DOS

IR

Vibrations