Geometry & MOs

Info

ID:	184277
PubChem CID:	77138556
Reduced:	ClSO3F4N4C25H29 (1)
Stoich.:	ABC3D4E4F25G29 (1)
Weight, g/mol:	465.241627
ΔH_f, kcal/mol:	-292.03
Dipole, Da:	2.86
IP(EA), eV:	-8.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[2-[(1-naphthalen-1-ylethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CC1NCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F)S(=O)(=O)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations