Geometry & MOs

Info

ID:	137685
PubChem CID:	52243981
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	7.08
IP(EA), eV:	-8.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC2=CC=CC=C2OC3CCCC3)[N+](=O)[O-]

DOS

IR

Vibrations