Geometry & MOs

Info

ID:	361778
PubChem CID:	127304625
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-110.68
Dipole, Da:	4.44
IP(EA), eV:	-9.28(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C(=O)N2CCCS(=O)(=O)CC2)C

DOS

IR

Vibrations