Geometry & MOs

Info

ID:	207696
PubChem CID:	80439312
Reduced:	BrClSN3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	367.07178
ΔH_f, kcal/mol:	30.61
Dipole, Da:	3.86
IP(EA), eV:	-8.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-ethyl-2-(5-ethylthiophen-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1Br)CC(C)C)C2=CC=C(S2)Cl

DOS

IR

Vibrations