Geometry & MOs

Info

ID:	131069
PubChem CID:	51150340
Reduced:	SF2N2O2C16H18 (1)
Stoich.:	AB2C2D2E16F18 (1)
Weight, g/mol:	336.128549
ΔH_f, kcal/mol:	-176.93
Dipole, Da:	2.97
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-(2,4-difluorophenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC(=O)C2CSC3(N2C(=O)CC3)C

DOS

IR

Vibrations