Geometry & MOs

Info

ID:	155027
PubChem CID:	56314597
Reduced:	BrO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	414.11619
ΔH_f, kcal/mol:	-81.0
Dipole, Da:	4.19
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)CNC(=O)C2CCCN2C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations