Geometry & MOs

Info

ID:	244320
PubChem CID:	99343968
Reduced:	ClO2N6H23C27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	498.157102
ΔH_f, kcal/mol:	48.21
Dipole, Da:	4.07
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NC3=CN(N=C3)CC4=CC=NC=C4)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations