Geometry & MOs

Info

ID:	350017
PubChem CID:	127276890
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-66.33
Dipole, Da:	3.75
IP(EA), eV:	-8.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations