Geometry & MOs

Info

ID:	242780
PubChem CID:	99206266
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	380.119464
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	2.88
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1,4-thiazepane-4-carbonyl)phenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCCSCC3)C

DOS

IR

Vibrations