Geometry & MOs

Info

ID:	169750
PubChem CID:	75143422
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	30.49
Dipole, Da:	3.97
IP(EA), eV:	-8.56(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-benzyl-5-(propylaminomethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]tridec-1(9)-en-3-one

Drug info:

PubChemData

Smile

C1CC1NCC2NC3C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2

DOS

IR

Vibrations