Geometry & MOs

Info

ID:	33790
PubChem CID:	7888118
Reduced:	N2O5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	400.139154
ΔH_f, kcal/mol:	-206.01
Dipole, Da:	3.65
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-cyanocyclohexyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations