Geometry & MOs

Info

ID:	138795
PubChem CID:	52426458
Reduced:	FSN4O4H25C26 (1)
Stoich.:	ABC4D4E25F26 (1)
Weight, g/mol:	510.091929
ΔH_f, kcal/mol:	-106.66
Dipole, Da:	8.12
IP(EA), eV:	-9.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3F)C(=O)NCC4=CC=C(C=C4)OC)[C@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations