Geometry & MOs

Info

ID:	436674
PubChem CID:	135207365
Reduced:	S2N3O6C15H21 (1)
Stoich.:	A2B3C6D15E21 (1)
Weight, g/mol:	401.071528
ΔH_f, kcal/mol:	-219.85
Dipole, Da:	5.77
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-isothiocyanato-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 4-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCN=C=S.C1=CC(=CC=C1C(=O)O)S(=O)(=O)N

DOS

IR

Vibrations