Geometry & MOs

Info

ID:

318989

PubChem CID:

126654070

Reduced:

BrFO3N7H27C28 (1)

Stoich.:

ABC3D7E27F28 (1)

Weight, g/mol:

635.16558

ΔHf, kcal/mol:

-67.71

Dipole, Da:

4.48

IP(EA), eV:

 -8.59(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN=C4N3CCCC4)CC(=O)N5C[C@@H](C[C@H]5C(=O)NC6=NC(=CC=C6)Br)F

DOS

IR

Vibrations