Geometry & MOs

Info

ID:	190127
PubChem CID:	77958709
Reduced:	FSN3O3C21H36 (1)
Stoich.:	ABC3D3E21F36 (1)
Weight, g/mol:	665.35772
ΔH_f, kcal/mol:	-190.53
Dipole, Da:	6.18
IP(EA), eV:	-8.2(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexanecarbonyl)-N-[4-[2-[4-[[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=C(C=C(C=C2)NCCCCCNS(=O)(=O)C(C)(C)C)F

DOS

IR

Vibrations