Geometry & MOs

Info

ID:	146483
PubChem CID:	53696397
Reduced:	FSO2N3H6C7 (1)
Stoich.:	ABC2D3E6F7 (1)
Weight, g/mol:	537.237604
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	6.02
IP(EA), eV:	-9.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-hydroxy-1-(1-methylindole-3-carbonyl)-N-[2-oxo-1-(pyridin-2-ylmethyl)-4,5-dihydro-3H-1-benzazepin-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)F)NS(=O)(=O)N

DOS

IR

Vibrations