Geometry & MOs

Info

ID:	17636
PubChem CID:	509364
Reduced:	SO2N6C20H20 (1)
Stoich.:	AB2C6D20E20 (1)
Weight, g/mol:	408.136845
ΔH_f, kcal/mol:	42.53
Dipole, Da:	4.7
IP(EA), eV:	-8.8(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-[5-[2-(1H-imidazol-5-yl)ethylamino]-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCC4=CN=CN4

DOS

IR

Vibrations