Geometry & MOs

Info

ID:	378037
PubChem CID:	134224105
Reduced:	NO7C22H27 (1)
Stoich.:	AB7C22D27 (1)
Weight, g/mol:	444.226037
ΔH_f, kcal/mol:	-250.33
Dipole, Da:	16.84
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1COC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCCCOC

DOS

IR

Vibrations