Geometry & MOs

Info

ID:	315732
PubChem CID:	126628631
Reduced:	N2O3C9H16 (2)
Stoich.:	A2B3C9D16 (2)
Weight, g/mol:	313.21139
ΔH_f, kcal/mol:	-296.09
Dipole, Da:	1.33
IP(EA), eV:	-9.11(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[(2-amino-3-methylbutanoyl)amino]propanoyl]-N-methyldiazinane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(C)C(=O)N1CCC[C@H](N1)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations