Geometry & MOs

Info

ID:	211027
PubChem CID:	80885227
Reduced:	ClOSN4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	308.087787
ΔH_f, kcal/mol:	29.46
Dipole, Da:	4.07
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)SC2=CC=CC=C2OC

DOS

IR

Vibrations