Geometry & MOs

Info

ID:	445190
PubChem CID:	135264799
Reduced:	NSH7C12 (1)
Stoich.:	ABC7D12 (1)
Weight, g/mol:	513.156971
ΔH_f, kcal/mol:	176.37
Dipole, Da:	2.35
IP(EA), eV:	-8.85(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-yl)-2-[[hydroxy-[(2-methylphenyl)sulfonylamino]methyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C=C1)SC3=C2C=NC=C3

DOS

IR

Vibrations