Geometry & MOs

Info

ID:	431076
PubChem CID:	135171146
Reduced:	OSN3C25H31 (1)
Stoich.:	ABC3D25E31 (1)
Weight, g/mol:	409.193632
ΔH_f, kcal/mol:	3.64
Dipole, Da:	6.14
IP(EA), eV:	-7.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)SC)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations