Geometry & MOs

Info

ID:	441429
PubChem CID:	135234645
Reduced:	SO3N5C26H27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	480.17731
ΔH_f, kcal/mol:	-32.76
Dipole, Da:	5.1
IP(EA), eV:	-8.14(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-difluoro-4-[2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C(C)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(CC4)O)CC5=CN=CC=C5

DOS

IR

Vibrations