Geometry & MOs

Info

ID:	56904
PubChem CID:	22394812
Reduced:	S2N3O5C20H29 (1)
Stoich.:	A2B3C5D20E29 (1)
Weight, g/mol:	439.098411
ΔH_f, kcal/mol:	-191.08
Dipole, Da:	4.5
IP(EA), eV:	-9.23(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-3,4-dihydroxy-1-pyridin-4-ylpentan-2-yl)-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(C(C(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)NS(=O)(=O)C)O)O

DOS

IR

Vibrations