Geometry & MOs

Info

ID:	232783
PubChem CID:	87576988
Reduced:	SN4O6C17H30 (1)
Stoich.:	AB4C6D17E30 (1)
Weight, g/mol:	392.136366
ΔH_f, kcal/mol:	-131.32
Dipole, Da:	12.8
IP(EA), eV:	-9.17(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-4-chloro-7-[[5-(hydroxymethyl)-4-methoxy-3-methylpyridin-2-yl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)N2CN(CN(C2)OC)OC

DOS

IR

Vibrations