Geometry & MOs

Info

ID:

444651

PubChem CID:

135263137

Reduced:

SN4O4C24H28 (1)

Stoich.:

AB4C4D24E28 (1)

Weight, g/mol:

483.269734

ΔHf, kcal/mol:

-101.87

Dipole, Da:

8.03

IP(EA), eV:

 -9.13(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-N-[2-[3-[(1R,3R)-2-[(1-fluorocyclopropyl)methyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-4-methoxyphenoxy]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CN=C(N=C3)N4CCS(=O)(=O)CC4)C

DOS

IR

Vibrations