Geometry & MOs

Info

ID:	15726
PubChem CID:	448079
Reduced:	SN3O7C15H25 (1)
Stoich.:	AB3C7D15E25 (1)
Weight, g/mol:	391.141321
ΔH_f, kcal/mol:	-327.51
Dipole, Da:	6.92
IP(EA), eV:	-9.67(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-carboxy-3-oxo-4-sulfanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations