Geometry & MOs

Info

ID:	61023
PubChem CID:	26704437
Reduced:	ClFO2S2N3H13C18 (1)
Stoich.:	ABC2D2E3F13G18 (1)
Weight, g/mol:	495.092263
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	3.53
IP(EA), eV:	-8.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](OC2=C1C=C(C=C2)Cl)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4F

DOS

IR

Vibrations