Geometry & MOs

Info

ID:	38537
PubChem CID:	8137019
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-122.51
Dipole, Da:	7.95
IP(EA), eV:	-9.47(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations