Geometry & MOs

Info

ID:	39385
PubChem CID:	8140594
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	418.180053
ΔH_f, kcal/mol:	-82.61
Dipole, Da:	5.16
IP(EA), eV:	-8.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CSCC(=O)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations