Geometry & MOs

Info

ID:	449995
PubChem CID:	135303020
Reduced:	IO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	496.227454
ΔH_f, kcal/mol:	-7.05
Dipole, Da:	1.31
IP(EA), eV:	-8.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-anilino-4-(2,2-dimethylcyclopropanecarbonyl)-5-methyl-1H-pyrrol-2-yl]pyridin-2-yl]-4-fluoro-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C2=C(C3=C(N2)C[C@](CC3=O)(C)I)NC4=CC=CC=C4

DOS

IR

Vibrations