Geometry & MOs

Info

ID:	244161
PubChem CID:	99319131
Reduced:	F2O3N4H18C22 (1)
Stoich.:	A2B3C4D18E22 (1)
Weight, g/mol:	432.143153
ΔH_f, kcal/mol:	-135.33
Dipole, Da:	4.1
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations