Geometry & MOs

Info

ID:	123068
PubChem CID:	50831987
Reduced:	FO4N6H21C24 (1)
Stoich.:	AB4C6D21E24 (1)
Weight, g/mol:	476.124446
ΔH_f, kcal/mol:	-61.1
Dipole, Da:	3.18
IP(EA), eV:	-8.81(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)F)CC(=O)NCC5=CC(=CC=C5)OC

DOS

IR

Vibrations