Geometry & MOs

Info

ID:	423553
PubChem CID:	135119720
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	362.147786
ΔH_f, kcal/mol:	2.9
Dipole, Da:	5.63
IP(EA), eV:	-9.11(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)[C@]1(C[C@H]2CC[C@@H]1N2C(=O)CCN3C=NC4=CC=CC=C43)CC5=CSC=N5

DOS

IR

Vibrations