Geometry & MOs

Info

ID:	157267
PubChem CID:	56422481
Reduced:	SO4N5H21C23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-52.25
Dipole, Da:	5.43
IP(EA), eV:	-9.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations