Geometry & MOs

Info

ID:	190066
PubChem CID:	77948893
Reduced:	SCl2O3N6C31H36 (1)
Stoich.:	AB2C3D6E31F36 (1)
Weight, g/mol:	469.228932
ΔH_f, kcal/mol:	-41.69
Dipole, Da:	4.19
IP(EA), eV:	-8.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[1-(3-fluoropropyl)-5-propanoylpyrrolidin-3-yl]-5-[3-(2-fluoropyridin-3-yl)phenyl]-3-methylimidazol-4-one

Drug info:

PubChemData

Smile

CCOC1=C(SC=C1)C2=NC(C(N2C(=O)N3CCN(CC3)CC(=O)N(C)CCN)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations