Geometry & MOs

Info

ID:	38700
PubChem CID:	8137779
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	411.146407
ΔH_f, kcal/mol:	-72.01
Dipole, Da:	2.9
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)COC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations