Geometry & MOs

Info

ID:	268286
PubChem CID:	103598746
Reduced:	FNO3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	384.198383
ΔH_f, kcal/mol:	-121.16
Dipole, Da:	2.19
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)N2CCC(CC2)OCCC3=CC=CC=C3)F

DOS

IR

Vibrations