Geometry & MOs

Info

ID:	33770
PubChem CID:	7888030
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	361.128255
ΔH_f, kcal/mol:	-147.96
Dipole, Da:	3.83
IP(EA), eV:	-8.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations