Geometry & MOs

Info

ID:	229593
PubChem CID:	87568105
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	449.198442
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	6.13
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[8-[(2-methoxyphenyl)carbamothioyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=NN(C=N2)C(=O)OC(C)(C)C

DOS

IR

Vibrations