Geometry & MOs

Info

ID:	314971
PubChem CID:	126624059
Reduced:	O3N7H27C28 (1)
Stoich.:	A3B7C27D28 (1)
Weight, g/mol:	541.248918
ΔH_f, kcal/mol:	-3.99
Dipole, Da:	6.27
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CC=CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)C5=CN=C(N=C5)C)C(=O)N

DOS

IR

Vibrations