Geometry & MOs

Info

ID:	178987
PubChem CID:	76413712
Reduced:	S2N3O8H23C27 (1)
Stoich.:	A2B3C8D23E27 (1)
Weight, g/mol:	351.155611
ΔH_f, kcal/mol:	-206.73
Dipole, Da:	5.69
IP(EA), eV:	-9.65(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(dimethylcarbamoyloxy)-2-methyl-1-phenylmethoxycarbonylpyrrolidin-1-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

C1NC(NC(=O)N1)OC2=C(C=CC=C2S(=O)(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)O

DOS

IR

Vibrations