Geometry & MOs

Info

ID:	195223
PubChem CID:	78658091
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	390.079588
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	6.04
IP(EA), eV:	-8.88(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-2-[[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

DOS

IR

Vibrations