Geometry & MOs

Info

ID:	46061
PubChem CID:	10520988
Reduced:	SN2O6C13H26 (1)
Stoich.:	AB2C6D13E26 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	-297.59
Dipole, Da:	3.0
IP(EA), eV:	-9.94(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-naphthalen-1-ylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations