Geometry & MOs

Info

ID:	244319
PubChem CID:	99343967
Reduced:	SO4N5H23C24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	498.157102
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	5.52
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)CC3=CC=NC=C3)S(=O)(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations