Geometry & MOs

Info

ID:	180422
PubChem CID:	76630478
Reduced:	S2O5N6C26H32 (1)
Stoich.:	A2B5C6D26E32 (1)
Weight, g/mol:	478.10931
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	3.08
IP(EA), eV:	-8.29(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxypropylsulfonyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide

Drug info:

PubChemData

Smile

CNCCCN(C)C1=NC2=C(C=C1)N=C(S2)NC(=O)C(=NOC3CCOC3)C4=CC=C(C=C4)S(=O)(=O)C5CC5

DOS

IR

Vibrations