Geometry & MOs

Info

ID:	210260
PubChem CID:	80782017
Reduced:	BrSN4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	294.097289
ΔH_f, kcal/mol:	75.59
Dipole, Da:	3.36
IP(EA), eV:	-8.73(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)N(C)CC2=CSC=C2)Br

DOS

IR

Vibrations