Geometry & MOs

Info

ID:	62426
PubChem CID:	26719705
Reduced:	ClSO2N4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-15.13
Dipole, Da:	4.9
IP(EA), eV:	-8.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C(=NN(C1=S)CCC(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations