Geometry & MOs

Info

ID:	134975
PubChem CID:	51791731
Reduced:	ClN3O3C27H34 (1)
Stoich.:	AB3C3D27E34 (1)
Weight, g/mol:	493.176834
ΔH_f, kcal/mol:	-114.29
Dipole, Da:	11.37
IP(EA), eV:	-9.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(N-[(1R)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-2-chloroanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1CCCCC1)N(C2=CC=CC=C2Cl)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations