Geometry & MOs

Info

ID:	188669
PubChem CID:	77752341
Reduced:	O2Cl3N3C24H24 (1)
Stoich.:	A2B3C3D24E24 (1)
Weight, g/mol:	547.304621
ΔH_f, kcal/mol:	-54.52
Dipole, Da:	3.31
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-(1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1CO)C(=O)C2=NC(=C(N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations