Geometry & MOs

Info

ID:

175903

PubChem CID:

75967127

Reduced:

N3O8C32H39 (1)

Stoich.:

A3B8C32D39 (1)

Weight, g/mol:

628.181412

ΔHf, kcal/mol:

-293.45

Dipole, Da:

10.87

IP(EA), eV:

 -8.84(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;2-methyl-1,1,4-trioxo-N-pyridin-2-yl-3H-1lambda6,2-benzothiazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC2=C(C=C1)NC(=C2)C(=O)NCC3=C(C=CC=C3OC)OC)NCC(C4=CC(=C(C=C4)O)CO)O.CC(=O)O

DOS

IR

Vibrations