Geometry & MOs

Info

ID:	39306
PubChem CID:	8140177
Reduced:	N3O3C24H34 (1)
Stoich.:	A3B3C24D34 (1)
Weight, g/mol:	410.130516
ΔH_f, kcal/mol:	-87.72
Dipole, Da:	5.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.999710
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(2S)-2-[(3-chlorophenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=C1C[NH+](C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations