Geometry & MOs

Info

ID:	218686
PubChem CID:	85089807
Reduced:	SO3N5H25C27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	495.182792
ΔH_f, kcal/mol:	49.62
Dipole, Da:	6.33
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methyl-1-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=O)N(C(S1)C2=CC=CC=C2)C3=NN=C(O3)COC4C(NNC4C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations