Geometry & MOs

Info

ID:	188045
PubChem CID:	77660231
Reduced:	O4N5C13H17 (1)
Stoich.:	A4B5C13D17 (1)
Weight, g/mol:	404.134777
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	3.14
IP(EA), eV:	-9.17(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,6-difluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide

Drug info:

PubChemData

Smile

C1CC1C2(C(C(OC2N3C=NC4=C(N=CN=C43)N)CO)O)O

DOS

IR

Vibrations