Geometry & MOs

Info

ID:	309131
PubChem CID:	126538151
Reduced:	NO6C26H33 (1)
Stoich.:	AB6C26D33 (1)
Weight, g/mol:	431.149951
ΔH_f, kcal/mol:	-247.48
Dipole, Da:	10.82
IP(EA), eV:	-8.97(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,14R)-10-chloro-11-(3-methoxypropoxy)-5-oxo-2-azatetracyclo[12.5.0.02,7.08,13]nonadeca-3,6,8,10,12-pentaene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC[C@@H]2[C@H]1N3C=C(C(=O)C=C3C4=CC(=C(C=C24)OCCCCCCO)OC)C(=O)O)C

DOS

IR

Vibrations