Geometry & MOs

Info

ID:	218608
PubChem CID:	85089679
Reduced:	SO4N5C24H29 (1)
Stoich.:	AB4C5D24E29 (1)
Weight, g/mol:	483.13822
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	8.08
IP(EA), eV:	-8.28(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(6-bromo-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)propyl]-1-methyl-2-(methylamino)pteridin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2CCC(CC2)C(C)(C)C)NN=C3C=CC(=CC3=O)C=C4C(=O)NC(=O)S4

DOS

IR

Vibrations