Geometry & MOs

Info

ID:	39365
PubChem CID:	8140493
Reduced:	ClSN3O3C19H25 (1)
Stoich.:	ABC3D3E19F25 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	5.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996142
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations