Geometry & MOs

Info

ID:	137501
PubChem CID:	52215337
Reduced:	NO6C14H18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	381.181919
ΔH_f, kcal/mol:	-213.98
Dipole, Da:	1.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752309
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCOCCOCC(=O)[O-]

DOS

IR

Vibrations