Geometry & MOs

Info

ID:	194562
PubChem CID:	78556440
Reduced:	ClNO5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	413.123169
ΔH_f, kcal/mol:	-151.6
Dipole, Da:	10.13
IP(EA), eV:	-8.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-butan-2-ylphenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations