Geometry & MOs

Info

ID:	200681
PubChem CID:	79426660
Reduced:	ClN2S2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	358.98586
ΔH_f, kcal/mol:	27.94
Dipole, Da:	1.19
IP(EA), eV:	-8.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(4-chlorothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CC(C2=C(C1)N=C(S2)C3=CC(=CS3)Cl)NC)C

DOS

IR

Vibrations