Geometry & MOs

Info

ID:	37974
PubChem CID:	8026170
Reduced:	N3O4H19C24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	7.38
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1[C@H](N(C2=CC=CC=C2O1)C(=O)COC3=CC=C(C=C3)C4=NN=CO4)C5=CC=CC=C5

DOS

IR

Vibrations