Geometry & MOs

Info

ID:	38524
PubChem CID:	8136986
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-165.62
Dipole, Da:	4.73
IP(EA), eV:	-9.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3

DOS

IR

Vibrations