Geometry & MOs

Info

ID:

47201

PubChem CID:

10530614

Reduced:

ClS3O4N5H16C22 (1)

Stoich.:

AB3C4D5E16F22 (1)

Weight, g/mol:

545.240497

ΔHf, kcal/mol:

36.15

Dipole, Da:

5.54

IP(EA), eV:

 -9.14(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 7-chloro-5-[(2S,3R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CSC(=N2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])NS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations