Geometry & MOs

Info

ID:

428005

PubChem CID:

135165706

Reduced:

BrClFOSN2H15C21 (1)

Stoich.:

ABCDEF2G15H21 (1)

Weight, g/mol:

632.248207

ΔHf, kcal/mol:

15.56

Dipole, Da:

2.16

IP(EA), eV:

 -8.97(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-10-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

C1CC1C2=NC=C(S2)[C@H]3N4[C@H](CC5=C4C=CC(=C5)Cl)C6=C(O3)C=C(C=C6F)Br

DOS

IR

Vibrations