Geometry & MOs

Info

ID:	16647
PubChem CID:	474351
Reduced:	SN3O5C32H41 (1)
Stoich.:	AB3C5D32E41 (1)
Weight, g/mol:	579.276693
ΔH_f, kcal/mol:	-166.27
Dipole, Da:	4.25
IP(EA), eV:	-9.19(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-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)NCC4=CC=CC=C4)O

DOS

IR

Vibrations