Geometry & MOs

Info

ID:	61344
PubChem CID:	26708325
Reduced:	ClFN3O3H19C21 (1)
Stoich.:	ABC3D3E19F21 (1)
Weight, g/mol:	461.198442
ΔH_f, kcal/mol:	-116.74
Dipole, Da:	6.45
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations