Geometry & MOs

Info

ID:	191802
PubChem CID:	78188750
Reduced:	SN3O5C27H37 (1)
Stoich.:	AB3C5D27E37 (1)
Weight, g/mol:	492.209422
ΔH_f, kcal/mol:	-180.18
Dipole, Da:	6.78
IP(EA), eV:	-9.37(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylprop-2-enyl N-[4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3C(CNCC3=O)CC4=CC=CC=C4)O

DOS

IR

Vibrations