Geometry & MOs

Info

ID:	335975
PubChem CID:	127254982
Reduced:	ClSN2O5C15H19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-203.63
Dipole, Da:	8.26
IP(EA), eV:	-9.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

COC(=O)CCNC(=O)C1=CC(=C(C=C1)Cl)N2CCCCS2(=O)=O

DOS

IR

Vibrations