Geometry & MOs

Info

ID:	83930
PubChem CID:	49862611
Reduced:	O4N5C27H33 (1)
Stoich.:	A4B5C27D33 (1)
Weight, g/mol:	515.253255
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	6.53
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-[[3-[3-tert-butyl-5-(phenylcarbamoylamino)pyrazol-1-yl]phenyl]methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations