Geometry & MOs

Info

ID:	378036
PubChem CID:	134224104
Reduced:	ClNO6C21H24 (1)
Stoich.:	ABC6D21E24 (1)
Weight, g/mol:	417.178752
ΔH_f, kcal/mol:	-226.89
Dipole, Da:	14.9
IP(EA), eV:	-9.29(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-(3-methoxypropoxy)-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations