Geometry & MOs

Info

ID:	310310
PubChem CID:	126578466
Reduced:	SO2C30H54 (1)
Stoich.:	AB2C30D54 (1)
Weight, g/mol:	265.117489
ΔH_f, kcal/mol:	-158.21
Dipole, Da:	2.24
IP(EA), eV:	-8.49(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-[(2S)-2,3-dihydroxypropyl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(COCCCCCCCCCCCCCCCSC)OCC1=CC=CC=C1

DOS

IR

Vibrations