Geometry & MOs

Info

ID:	436299
PubChem CID:	135198466
Reduced:	SO4N5C12H15 (1)
Stoich.:	AB4C5D12E15 (1)
Weight, g/mol:	685.221573
ΔH_f, kcal/mol:	-105.68
Dipole, Da:	5.76
IP(EA), eV:	-9.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[3-acetyl-5-(1,2-oxazol-3-ylmethylcarbamoylamino)indazol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]azepane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C2C(C(=N1)C(=O)N)N=C(S2)N=C=O

DOS

IR

Vibrations