Geometry & MOs

Info

ID:	340097
PubChem CID:	127262106
Reduced:	N3O4C20H37 (1)
Stoich.:	A3B4C20D37 (1)
Weight, g/mol:	401.234828
ΔH_f, kcal/mol:	-223.3
Dipole, Da:	7.66
IP(EA), eV:	-9.54(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-methyl-N-(4-methylsulfanyl-1-oxobutan-2-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C=O)N([C@@H](CC(C)C)C(=O)N)C(=O)[C@H](CC(C)C)NC(=O)C

DOS

IR

Vibrations