Geometry & MOs

Info

ID:	188470
PubChem CID:	77722086
Reduced:	ON4S5C9H16 (1)
Stoich.:	AB4C5D9E16 (1)
Weight, g/mol:	456.153049
ΔH_f, kcal/mol:	45.91
Dipole, Da:	5.17
IP(EA), eV:	-8.75(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-fluoro-2-(2-methylpropyl)phenyl]sulfonylamino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)ON1C(N=C(S1)SC2NC(=S)SN2)CSC

DOS

IR

Vibrations