Geometry & MOs

Info

ID:	137298
PubChem CID:	52185592
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	375.149087
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	7.44
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-methyl-3-nitrophenyl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NCCC2=CC=CS2)[N+](=O)[O-]

DOS

IR

Vibrations