Geometry & MOs

Info

ID:	144004
PubChem CID:	53298199
Reduced:	SN2O2H10C11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	11.79
IP(EA), eV:	-8.15(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations