Geometry & MOs

Info

ID:	157274
PubChem CID:	56422490
Reduced:	N4O5H22C25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	380.094312
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	4.79
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations