Geometry & MOs

Info

ID:	290833
PubChem CID:	111123626
Reduced:	FO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	440.184189
ΔH_f, kcal/mol:	-175.91
Dipole, Da:	6.71
IP(EA), eV:	-9.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)F)OCC(COCC2=CC=CC=C2)O

DOS

IR

Vibrations