Geometry & MOs

Info

ID:	81097
PubChem CID:	49854349
Reduced:	BrFO2N4C22H28 (1)
Stoich.:	ABC2D4E22F28 (1)
Weight, g/mol:	526.1241
ΔH_f, kcal/mol:	-103.62
Dipole, Da:	7.02
IP(EA), eV:	-8.62(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-5-[(E)-3-(4-fluoro-2-iodoanilino)-3-oxoprop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C/C(=O)NC2=C(C=C(C=C2)F)Br)C

DOS

IR

Vibrations