Geometry & MOs

Info

ID:	165676
PubChem CID:	74582700
Reduced:	O2N4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	306.059362
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	5.88
IP(EA), eV:	-9.19(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(chloromethyl)-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6-tetraen-16-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N3CCCC4C3CCN(C4)C(=O)C(C)C)C

DOS

IR

Vibrations