Geometry & MOs

Info

ID:	194617
PubChem CID:	78562803
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	425.21147
ΔH_f, kcal/mol:	-10.69
Dipole, Da:	6.33
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3OC

DOS

IR

Vibrations