Geometry & MOs

Info

ID:	398751
PubChem CID:	135035219
Reduced:	SN2O3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	492.063663
ΔH_f, kcal/mol:	-114.07
Dipole, Da:	4.94
IP(EA), eV:	-9.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1,3-dimethyl-4-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-6-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C(=O)N1S(=O)(=O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations