Geometry & MOs

Info

ID:	314772
PubChem CID:	126623039
Reduced:	BrN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	608.11829
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	2.9
IP(EA), eV:	-9.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2[C@H]3CCC(C3)N2C(=O)O

DOS

IR

Vibrations