Geometry & MOs

Info

ID:	335650
PubChem CID:	127254512
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	422.121275
ΔH_f, kcal/mol:	38.23
Dipole, Da:	4.7
IP(EA), eV:	-8.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-amino-3-oxo-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]-2-fluoro-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N2CCCC2C3=NN=C4N3C=CC=C4)C

DOS

IR

Vibrations