Geometry & MOs

Info

ID:	376451
PubChem CID:	134222464
Reduced:	O3N4C31H32 (1)
Stoich.:	A3B4C31D32 (1)
Weight, g/mol:	533.162995
ΔH_f, kcal/mol:	-36.66
Dipole, Da:	9.56
IP(EA), eV:	-8.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-N-[(3-chloro-5-fluorophenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)C)C4=CC(=CC=C4)C(=O)NCC(C)(C)C#N

DOS

IR

Vibrations