Geometry & MOs

Info

ID:	68759
PubChem CID:	46509039
Reduced:	FNO4H16C21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-109.43
Dipole, Da:	5.68
IP(EA), eV:	-9.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations