Geometry & MOs

Info

ID:	443464
PubChem CID:	135259122
Reduced:	SO5N6C33H40 (1)
Stoich.:	AB5C6D33E40 (1)
Weight, g/mol:	223.114319
ΔH_f, kcal/mol:	-148.7
Dipole, Da:	5.66
IP(EA), eV:	-8.96(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-7-but-3-en-2-ylidene-N-methyl-6-methylidene-2-thia-5,8-diazaspiro[3.4]octan-8-amine

Drug info:

PubChemData

Smile

CCC(CC(=C)CC(=O)C1=CC2=C(N=CN=C2S1)NC3=CC(=C4C(=O)NC5(N4C3=O)CCCC5)C)CC(=N)C(=O)OC(C)(C)C

DOS

IR

Vibrations