Geometry & MOs

Info

ID:	33753
PubChem CID:	7887947
Reduced:	OS2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	346.092204
ΔH_f, kcal/mol:	-22.6
Dipole, Da:	2.24
IP(EA), eV:	-8.71(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CC[C@H](C)NC(=O)CSC1=NC(=NC2=C1C3=C(S2)CCC3)C

DOS

IR

Vibrations