Geometry & MOs

Info

ID:	339889
PubChem CID:	127261898
Reduced:	O3N5C24H37 (1)
Stoich.:	A3B5C24D37 (1)
Weight, g/mol:	313.272927
ΔH_f, kcal/mol:	-123.54
Dipole, Da:	3.98
IP(EA), eV:	-7.79(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-methyl-N-(3-methylbutyl)pentanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2)[C@@H](CC(C)C)C(=O)N)N

DOS

IR

Vibrations