Geometry & MOs

Info

ID:	305754
PubChem CID:	124968171
Reduced:	SO2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	21.93
Dipole, Da:	3.58
IP(EA), eV:	-9.4(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(methylamino)-2-[(3R)-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

Drug info:

PubChemData

Smile

CNC(=O)C1=C2N=CC=C(N2N=C1)[C@H]3CCCN3C(=O)C4=CC=CS4

DOS

IR

Vibrations