Geometry & MOs

Info

ID:	195108
PubChem CID:	78635759
Reduced:	ClN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	414.107185
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	6.37
IP(EA), eV:	-8.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OC)C(=O)COC(=O)C=CC2=C(N=C3N2C=CC=C3)Cl

DOS

IR

Vibrations