Geometry & MOs

Info

ID:	243658
PubChem CID:	99233720
Reduced:	SN3O5C15H29 (1)
Stoich.:	AB3C5D15E29 (1)
Weight, g/mol:	454.14672
ΔH_f, kcal/mol:	-260.68
Dipole, Da:	7.57
IP(EA), eV:	-9.55(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[3-(3-bromo-4-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)CCNS(=O)(=O)C

DOS

IR

Vibrations