Geometry & MOs

Info

ID:	340000
PubChem CID:	127262009
Reduced:	N4O4C15H26 (1)
Stoich.:	A4B4C15D26 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-198.88
Dipole, Da:	6.78
IP(EA), eV:	-9.78(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)-ethylamino]-4-methyl-1-oxopentan-2-yl]-5-sulfanylidenepyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1

DOS

IR

Vibrations