Geometry & MOs

Info

ID:	417921
PubChem CID:	135103071
Reduced:	SO3N4C12H20 (1)
Stoich.:	AB3C4D12E20 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-116.43
Dipole, Da:	3.85
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-hydroxyethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCCN(C)S(=O)(=O)C)C(=O)N

DOS

IR

Vibrations