Geometry & MOs

Info

ID:	209047
PubChem CID:	80617013
Reduced:	OSN7C9H13 (1)
Stoich.:	ABC7D9E13 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	51.52
Dipole, Da:	4.48
IP(EA), eV:	-9.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5-(methylamino)-N-phenyl-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CNC1=NN=C(S1)C(=O)NCCCC2=NC=NN2

DOS

IR

Vibrations