Geometry & MOs

Info

ID:	160045
PubChem CID:	57304458
Reduced:	SN2O3C10H19 (1)
Stoich.:	AB2C3D10E19 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-166.6
Dipole, Da:	2.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751996
Charge, e:	0

Chem-info

IUPAC name:

1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylguanidine

Drug info:

PubChemData

Smile

C[C@@H]1CCC[N+]1(C(=O)C(CN)CS)C(=O)O

DOS

IR

Vibrations