Geometry & MOs

Info

ID:	377880
PubChem CID:	134223945
Reduced:	N2O5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	448.1765
ΔH_f, kcal/mol:	-178.29
Dipole, Da:	16.78
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-2-chloro-3-(3-methoxypropoxy)-5-methyl-11-oxo-6,7-dihydropyrido[1,2-d][1,4]benzodiazepine-10-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(CN(N3C2=CC(=O)C(=C3)C(=O)O)C(C)(C)C)C=C1OCCCOC

DOS

IR

Vibrations