Geometry & MOs

Info

ID:	299577
PubChem CID:	117688009
Reduced:	ON8C27H30 (1)
Stoich.:	AB8C27D30 (1)
Weight, g/mol:	581.03159
ΔH_f, kcal/mol:	96.26
Dipole, Da:	6.47
IP(EA), eV:	-7.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-(2-methoxyphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN4C3=NC=C4)C5=CC6=NNC(=C6C=C5)C(C)O

DOS

IR

Vibrations