Geometry & MOs

Info

ID:	184269
PubChem CID:	77137694
Reduced:	N5O14C30H53 (1)
Stoich.:	A5B14C30D53 (1)
Weight, g/mol:	500.211136
ΔH_f, kcal/mol:	-693.1
Dipole, Da:	4.95
IP(EA), eV:	-9.26(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[8-fluoro-2-[2-(1-naphthalen-1-ylethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(OC1OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)NC(=O)C)CN(C)C(=O)C.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations