Geometry & MOs

Info

ID:	123605
PubChem CID:	50855314
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	24.43
Dipole, Da:	7.16
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)N/N=C\C2=CN(C=C2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations