Geometry & MOs

Info

ID:	414822
PubChem CID:	135087785
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	273.078327
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	2.16
IP(EA), eV:	-9.06(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2CCC3(CC2)CN(C(=O)CCO3)CC4=CC=CC=C4

DOS

IR

Vibrations