Geometry & MOs

Info

ID:	49357
PubChem CID:	11532908
Reduced:	O2C15H23 (2)
Stoich.:	A2B15C23 (2)
Weight, g/mol:	470.135698
ΔH_f, kcal/mol:	-237.22
Dipole, Da:	6.03
IP(EA), eV:	-9.68(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-(2-methoxyethoxy)benzoyl]-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,5-dihydro-1,4-benzodiazepin-3-one

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)CO)C)(C)C

DOS

IR

Vibrations