Geometry & MOs

Info

ID:	135028
PubChem CID:	51800174
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	472.249271
ΔH_f, kcal/mol:	-114.93
Dipole, Da:	3.69
IP(EA), eV:	-9.31(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-3-cyclohexyl-N-[(5-methylfuran-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H]([C@@H](S1)CO)O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations