Geometry & MOs

Info

ID:	307613
PubChem CID:	125307744
Reduced:	O5N6C22H24 (1)
Stoich.:	A5B6C22D24 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-114.84
Dipole, Da:	4.47
IP(EA), eV:	-8.97(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-2-[[(2S)-6-methyl-4-oxo-3-propan-2-yl-2H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)[C@H]([C@H]3C=NC4=C3C=CC(=C4)NC(=O)CCC(=O)O)C(=O)O

DOS

IR

Vibrations