Geometry & MOs

Info

ID:	232659
PubChem CID:	87576653
Reduced:	SN2O4H26C30 (1)
Stoich.:	AB2C4D26E30 (1)
Weight, g/mol:	389.125467
ΔH_f, kcal/mol:	-89.63
Dipole, Da:	7.18
IP(EA), eV:	-8.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-chloro-7-[(5-ethyl-4-methoxy-3-methylpyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(NC2=C1C(=O)CCC2)/C=C/3\C4=C(C=CC(=C4)C5=CC6=CC=CC=C6S5)NC3=O

DOS

IR

Vibrations