Geometry & MOs

Info

ID:	436673
PubChem CID:	135207364
Reduced:	BrN2F3O4C19H34 (1)
Stoich.:	AB2C3D4E19F34 (1)
Weight, g/mol:	403.087178
ΔH_f, kcal/mol:	-405.78
Dipole, Da:	2.46
IP(EA), eV:	-9.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2-isothiocyanatoethyl)carbamate;4-sulfamoylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCCC(N(CCCCCCO)C(=O)C(F)(F)F)Br

DOS

IR

Vibrations