Geometry & MOs

Info

ID:	431940
PubChem CID:	135172067
Reduced:	N2O3C24H40 (1)
Stoich.:	A2B3C24D40 (1)
Weight, g/mol:	447.230411
ΔH_f, kcal/mol:	-171.83
Dipole, Da:	6.07
IP(EA), eV:	-8.17(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(5-acetamido-1,3,4-thiadiazol-2-yl)amino]-4-[bis(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC(C)CCO

DOS

IR

Vibrations