Geometry & MOs

Info

ID:	38701
PubChem CID:	8137787
Reduced:	SN3O6C18H25 (1)
Stoich.:	AB3C6D18E25 (1)
Weight, g/mol:	411.146407
ΔH_f, kcal/mol:	-225.72
Dipole, Da:	1.75
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations