Geometry & MOs

Info

ID:	157277
PubChem CID:	56422494
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	365.034938
ΔH_f, kcal/mol:	-111.14
Dipole, Da:	5.88
IP(EA), eV:	-8.73(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chlorothiadiazol-4-yl)methyl 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32)C

DOS

IR

Vibrations