Geometry & MOs

Info

ID:	191804
PubChem CID:	78188833
Reduced:	SF2N3O5C27H31 (1)
Stoich.:	AB2C3D5E27F31 (1)
Weight, g/mol:	466.193771
ΔH_f, kcal/mol:	-242.96
Dipole, Da:	5.16
IP(EA), eV:	-9.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=N2)O)S(=O)(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations