Geometry & MOs

Info

ID:	178536
PubChem CID:	76344032
Reduced:	S2O3N4C21H26 (1)
Stoich.:	A2B3C4D21E26 (1)
Weight, g/mol:	365.131031
ΔH_f, kcal/mol:	-116.68
Dipole, Da:	6.52
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5-methylthiophen-2-yl)pyrazolidin-3-yl]-2-phenylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1C(=O)NC3=CC=C(C=C3)CC(=O)N4CCSCC4)NC(=S)NC2=O

DOS

IR

Vibrations