Geometry & MOs

Info

ID:	168396
PubChem CID:	74961749
Reduced:	Cl2O4N5C15H27 (1)
Stoich.:	A2B4C5D15E27 (1)
Weight, g/mol:	426.179087
ΔH_f, kcal/mol:	-243.01
Dipole, Da:	6.88
IP(EA), eV:	-9.17(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-4-(3-benzoyl-2-oxo-4,7-dihydro-1,3-diazepin-1-yl)-1-bicyclo[3.1.0]hexanyl]methyl acetate

Drug info:

PubChemData

Smile

CCCC(=O)OCCNC(=O)C(CC1=CN=CN1)NC(=O)CCN.Cl.Cl

DOS

IR

Vibrations