Geometry & MOs

Info

ID:

238525

PubChem CID:

92741731

Reduced:

F2O3N4C27H30 (1)

Stoich.:

A2B3C4D27E30 (1)

Weight, g/mol:

492.253669

ΔHf, kcal/mol:

-187.33

Dipole, Da:

6.98

IP(EA), eV:

 -8.27(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-10-acetamido-8-fluoro-3-methyl-N-(3-methylbutyl)-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@]1(CN2C3=C(C=C(C=C3)F)C(=C2C(=O)N1CC4=CC=C(C=C4)F)NC(=O)C)C

DOS

IR

Vibrations