Geometry & MOs

Info

ID:	351417
PubChem CID:	127280305
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-104.58
Dipole, Da:	9.38
IP(EA), eV:	-8.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4-dimethyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations