Geometry & MOs

Info

ID:	39454
PubChem CID:	8140855
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	418.103038
ΔH_f, kcal/mol:	-99.71
Dipole, Da:	3.14
IP(EA), eV:	-8.92(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCC(=O)NC2=C(C=CC=C2C)C

DOS

IR

Vibrations