Geometry & MOs

Info

ID:	321343
PubChem CID:	126665841
Reduced:	ClSN4O4H19C21 (1)
Stoich.:	ABC4D4E19F21 (1)
Weight, g/mol:	567.209339
ΔH_f, kcal/mol:	-43.59
Dipole, Da:	5.91
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[hydroxy(pyridin-3-yl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC(=CC=C3)NS(=O)(=O)C)C(C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations