Geometry & MOs

Info

ID:	25302
PubChem CID:	622295
Reduced:	ClFNO2S2H13C14 (1)
Stoich.:	ABCD2E2F13G14 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	4.84
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butyl-2,6-dinitroanilino)propan-1-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=C(C=CC=C1SC2=CC=C(C=C2)Cl)F

DOS

IR

Vibrations