Geometry & MOs

Info

ID:	291387
PubChem CID:	112256089
Reduced:	SN6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	415.090345
ΔH_f, kcal/mol:	95.63
Dipole, Da:	5.53
IP(EA), eV:	-8.75(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=NC(=C(S1)C)C)NCCC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations