Geometry & MOs

Info

ID:	223960
PubChem CID:	85336313
Reduced:	SN3O3H17C21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	397.178172
ΔH_f, kcal/mol:	-28.18
Dipole, Da:	6.14
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methylphenyl)-N-(5-propan-2-ylpyrazolidin-3-yl)-6-(1H-pyrrol-2-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=C3C4=CC=CC=C4NC3=O

DOS

IR

Vibrations