Geometry & MOs

Info

ID:	69804
PubChem CID:	47205423
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	270.057532
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	2.6
IP(EA), eV:	-9.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C(=O)NC1=NOC(=C1)C

DOS

IR

Vibrations