Geometry & MOs

Info

ID:	431104
PubChem CID:	135171174
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	423.209282
ΔH_f, kcal/mol:	-3.12
Dipole, Da:	2.43
IP(EA), eV:	-8.77(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC3=C(C=C2)N=CO3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations