Geometry & MOs

Info

ID:	83904
PubChem CID:	49862332
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	524.253589
ΔH_f, kcal/mol:	-45.11
Dipole, Da:	2.99
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-[3-tert-butyl-5-(phenylcarbamoylamino)pyrazol-1-yl]phenyl]methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC=C2)C3=CC=CC(=C3)CNC(=O)CNC=O

DOS

IR

Vibrations