Geometry & MOs

Info

ID:	55523
PubChem CID:	17395500
Reduced:	FO2S2N3H12C14 (1)
Stoich.:	AB2C2D3E12F14 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-60.82
Dipole, Da:	4.46
IP(EA), eV:	-8.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(cyclohexylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)N(CS1)CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F

DOS

IR

Vibrations