Geometry & MOs

Info

ID:	33757
PubChem CID:	7887956
Reduced:	S2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	385.103103
ΔH_f, kcal/mol:	64.15
Dipole, Da:	4.48
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-cyanoethyl)-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

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCCCC#N

DOS

IR

Vibrations