Geometry & MOs

Info

ID:	232654
PubChem CID:	87576644
Reduced:	SN3O7C24H25 (1)
Stoich.:	AB3C7D24E25 (1)
Weight, g/mol:	374.125802
ΔH_f, kcal/mol:	-239.29
Dipole, Da:	13.13
IP(EA), eV:	-9.55(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-chloro-7-[(6-methoxy-5-methyl-1H-benzimidazol-4-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C(=C(N2)/C=C/3\C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)NC3=O)CCC(=O)O

DOS

IR

Vibrations