Geometry & MOs

Info

ID:	333256
PubChem CID:	127251805
Reduced:	SO2N6C15H26 (1)
Stoich.:	AB2C6D15E26 (1)
Weight, g/mol:	410.21001
ΔH_f, kcal/mol:	-45.37
Dipole, Da:	3.41
IP(EA), eV:	-8.86(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-N,N-diethylpyrrolidine-1-sulfonamide

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations