Geometry & MOs

Info

ID:	243737
PubChem CID:	99234481
Reduced:	BrSN2O3C16H23 (1)
Stoich.:	ABC2D3E16F23 (1)
Weight, g/mol:	432.262422
ΔH_f, kcal/mol:	-129.61
Dipole, Da:	4.63
IP(EA), eV:	-9.45(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations