Geometry & MOs

Info

ID:	316107
PubChem CID:	126630085
Reduced:	N4O5C14H24 (1)
Stoich.:	A4B5C14D24 (1)
Weight, g/mol:	370.22162
ΔH_f, kcal/mol:	-217.89
Dipole, Da:	5.04
IP(EA), eV:	-9.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations