Geometry & MOs

Info

ID:	325153
PubChem CID:	126681567
Reduced:	FN4O4C30H31 (1)
Stoich.:	AB4C4D30E31 (1)
Weight, g/mol:	530.232934
ΔH_f, kcal/mol:	-138.24
Dipole, Da:	2.89
IP(EA), eV:	-9.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[2-fluoro-3-[hydroxy(phenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(C3=CC=CC=C3)O)F)C4=CC=CC(=C4)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations