Geometry & MOs

Info

ID:	135005
PubChem CID:	51795987
Reduced:	ClNOC12H15 (2)
Stoich.:	ABCD12E15 (2)
Weight, g/mol:	523.187399
ΔH_f, kcal/mol:	-95.0
Dipole, Da:	3.22
IP(EA), eV:	-9.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(N-[(1S)-2-(tert-butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-3-chloroanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C1=CC(=CC=C1)Cl)[C@H](C2=CC=C(C=C2)Cl)C(=O)NCCCC

DOS

IR

Vibrations