Geometry & MOs

Info

ID:	232150
PubChem CID:	87575605
Reduced:	NSO2C4H7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	416.172752
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	4.67
IP(EA), eV:	-10.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-2-amino-4-chloro-7-[(4,5,6-trimethylpyridin-3-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC#N.C(C(=O)O)S

DOS

IR

Vibrations