Geometry & MOs

Info

ID:	379721
PubChem CID:	134461212
Reduced:	O4N6H22C27 (1)
Stoich.:	A4B6C22D27 (1)
Weight, g/mol:	443.170588
ΔH_f, kcal/mol:	37.68
Dipole, Da:	9.16
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

COCCOC1=C(C=CC(=C1)C#N)C2=NN=C(O2)N[C@@H]3C(=O)NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

DOS

IR

Vibrations