Geometry & MOs

Info

ID:	153942
PubChem CID:	56313295
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-54.02
Dipole, Da:	4.25
IP(EA), eV:	-8.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-N-(3-phenylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CCN1C=NC2=C(C1=O)C3=C(S2)CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations