Geometry & MOs

Info

ID:	16645
PubChem CID:	474349
Reduced:	SN3O5C31H39 (1)
Stoich.:	AB3C5D31E39 (1)
Weight, g/mol:	565.261043
ΔH_f, kcal/mol:	-159.44
Dipole, Da:	5.04
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-3-phenyl-1-(2-phenylethyl)urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)O

DOS

IR

Vibrations