Geometry & MOs

Info

ID:	68470
PubChem CID:	46508480
Reduced:	SCl2N2O3C13H16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-133.77
Dipole, Da:	3.33
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-tert-butylanilino)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)CNC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations