Geometry & MOs

Info

ID:	180001
PubChem CID:	76564916
Reduced:	OCl2N2F3H15C20 (1)
Stoich.:	AB2C2D3E15F20 (1)
Weight, g/mol:	556.179871
ΔH_f, kcal/mol:	-116.41
Dipole, Da:	5.55
IP(EA), eV:	-9.26(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[[2-(4-chlorophenyl)phenyl]sulfonylamino]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1C(N(C2=C1C3C(=NC(=O)C=C3Cl)C=C2)CC(F)(F)F)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations