Geometry & MOs

Info

ID:	439372
PubChem CID:	135229145
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	514.193807
ΔH_f, kcal/mol:	-5.36
Dipole, Da:	3.79
IP(EA), eV:	-9.06(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloro-dimethyl-[[5-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]pyrimidin-2-yl]sulfanylmethyl]-lambda4-sulfane

Drug info:

PubChemData

Smile

CCCC(CCC)NC1=NC=NC(=C1)C

DOS

IR

Vibrations