Geometry & MOs

Info

ID:	243171
PubChem CID:	99216377
Reduced:	N2S2O3C22H28 (1)
Stoich.:	A2B2C3D22E28 (1)
Weight, g/mol:	406.192629
ΔH_f, kcal/mol:	-96.92
Dipole, Da:	5.97
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-4-(1,4-thiazepane-4-carbonyl)phenoxy]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CCC(=O)N2CCCSCC2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations