Geometry & MOs

Info

ID:	217896
PubChem CID:	85088549
Reduced:	ON3C27H27 (1)
Stoich.:	AB3C27D27 (1)
Weight, g/mol:	409.203528
ΔH_f, kcal/mol:	57.74
Dipole, Da:	3.57
IP(EA), eV:	-8.31(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(1-anilino-4-methyl-1-oxopentan-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)C2=CNC3=C2C=C(C=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations