Geometry & MOs

Info

ID:	157266
PubChem CID:	56422480
Reduced:	ClFSN2O4C19H26 (1)
Stoich.:	ABCD2E4F19G26 (1)
Weight, g/mol:	463.131425
ΔH_f, kcal/mol:	-212.32
Dipole, Da:	5.8
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(CNC(=O)CCSCC(=O)OC)C2=C(C=CC=C2Cl)F

DOS

IR

Vibrations