Geometry & MOs

Info

ID:	135374
PubChem CID:	51863176
Reduced:	N3O3S3C16H25 (1)
Stoich.:	A3B3C3D16E25 (1)
Weight, g/mol:	347.175953
ΔH_f, kcal/mol:	-110.42
Dipole, Da:	4.13
IP(EA), eV:	-9.09(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-hydroxynaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)CSC2=NN=C(S2)SCC(=O)N)C(C)C

DOS

IR

Vibrations