Geometry & MOs

Info

ID:	186259
PubChem CID:	77413390
Reduced:	S2O4N5C14H19 (1)
Stoich.:	A2B4C5D14E19 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-63.68
Dipole, Da:	5.62
IP(EA), eV:	-9.01(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-[[6-[3-(dimethylamino)phenyl]-2-oxopiperidin-3-yl]methyl]anilino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(CN2C(C(=O)C2=O)SC1)CSC3=NN=NN3C

DOS

IR

Vibrations