Geometry & MOs

Info

ID:	34026
PubChem CID:	7889475
Reduced:	OCl2S2N3H15C17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	397.091869
ΔH_f, kcal/mol:	10.76
Dipole, Da:	3.6
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)[C@H](C)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations