Geometry & MOs

Info

ID:	192422
PubChem CID:	78267344
Reduced:	ClSO2N5H12C18 (1)
Stoich.:	ABC2D5E12F18 (1)
Weight, g/mol:	372.227374
ΔH_f, kcal/mol:	88.93
Dipole, Da:	5.52
IP(EA), eV:	-9.08(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,18-dioxo-5-pyrrolidin-1-yl-1,4,6,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadecane-9-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C)C2=NC(=NC(=O)C2=C1)C(C#N)C(=O)C3=NC(=NC=C3Cl)SC

DOS

IR

Vibrations