Geometry & MOs

Info

ID:	138709
PubChem CID:	52414015
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-160.08
Dipole, Da:	7.7
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-1-[[2-(dimethylamino)pyridin-3-yl]methylcarbamoyl]piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)CC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations