Geometry & MOs

Info

ID:	33771
PubChem CID:	7888035
Reduced:	OS2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	361.128255
ΔH_f, kcal/mol:	-17.99
Dipole, Da:	4.0
IP(EA), eV:	-8.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@@H](C)C(=O)N4CCCCC4

DOS

IR

Vibrations