Geometry & MOs

Info

ID:	379720
PubChem CID:	134461185
Reduced:	O2N5H15C18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	494.170253
ΔH_f, kcal/mol:	46.37
Dipole, Da:	4.39
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyethoxy)-4-[5-[[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NN=C(O1)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

DOS

IR

Vibrations