Geometry & MOs

Info

ID:	19223
PubChem CID:	558362
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-61.95
Dipole, Da:	4.47
IP(EA), eV:	-8.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-hydroxy-15-(piperidin-1-ylmethyl)-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17),13,15-pentaen-10-one

Drug info:

PubChemData

Smile

C1CCC2=NC3=C(C4=C(S3)C(=C(C=C4)CN5CCCCC5)O)C(=O)N2CC1

DOS

IR

Vibrations