Geometry & MOs

Info

ID:	418933
PubChem CID:	135107158
Reduced:	ClSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	2.74
IP(EA), eV:	-9.69(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(4-thiophen-2-ylbutanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)Cl

DOS

IR

Vibrations