Geometry & MOs

Info

ID:	187216
PubChem CID:	77545598
Reduced:	NCl2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	544.304956
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	7.32
IP(EA), eV:	-9.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclohexylamino)-3-hydroxy-2-phenylbutan-2-yl]-3-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]benzamide

Drug info:

PubChemData

Smile

CCOCC1(C2C1CN(CC2)C(=O)O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations