Geometry & MOs

Info

ID:	42977
PubChem CID:	10317489
Reduced:	N2O5H18C21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	378.099791
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	4.37
IP(EA), eV:	-8.84(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)N1C(CC2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations