Geometry & MOs

Info

ID:	445196
PubChem CID:	135264881
Reduced:	SN2H22C32 (1)
Stoich.:	AB2C22D32 (1)
Weight, g/mol:	489.102828
ΔH_f, kcal/mol:	156.86
Dipole, Da:	2.32
IP(EA), eV:	-8.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-yl)-2-[[hydroxy-(thiophen-2-ylsulfonylamino)methyl]amino]-N-methyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=CC=C2)N3C=CC4=C3C5=C(C=C4)C6=CC=CC=C6N5C7=CC=CC=C7)S

DOS

IR

Vibrations