Geometry & MOs

Info

ID:	327548
PubChem CID:	126690306
Reduced:	SCl2O3N5C20H25 (1)
Stoich.:	AB2C3D5E20F25 (1)
Weight, g/mol:	412.02839
ΔH_f, kcal/mol:	-38.73
Dipole, Da:	5.58
IP(EA), eV:	-8.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(iodomethylamino)-5-propanoylpyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN=C(C1=C(C(=CS1)C(=O)NC2=C(C(=CC(=C2Cl)OC)OC)Cl)N=C)NCCN(C)C

DOS

IR

Vibrations