Geometry & MOs

Info

ID:	432886
PubChem CID:	135173023
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	408.164499
ΔH_f, kcal/mol:	-2.72
Dipole, Da:	4.45
IP(EA), eV:	-9.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[[2-[methyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C#N)C2CN(CCO2)C=O

DOS

IR

Vibrations