Geometry & MOs

Info

ID:	123081
PubChem CID:	50832000
Reduced:	SO4N6C23H28 (1)
Stoich.:	AB4C6D23E28 (1)
Weight, g/mol:	478.156495
ΔH_f, kcal/mol:	-57.28
Dipole, Da:	6.07
IP(EA), eV:	-8.79(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-2-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CN(C=N2)CC3=NOC(=N3)C4CC(=O)N(C4)C5=CC=C(C=C5)C

DOS

IR

Vibrations