Geometry & MOs

Info

ID:	371937
PubChem CID:	131281174
Reduced:	ClNSF2H4O4C9 (1)
Stoich.:	ABCD2E4F4G9 (1)
Weight, g/mol:	253.02146
ΔH_f, kcal/mol:	-192.57
Dipole, Da:	4.91
IP(EA), eV:	-11.2(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromopyridin-2-yl)-propan-2-ylamino]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C=O)OC(F)F)C#N)S(=O)(=O)Cl

DOS

IR

Vibrations