Geometry & MOs

Info

ID:	269624
PubChem CID:	103618232
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-139.93
Dipole, Da:	3.32
IP(EA), eV:	-7.97(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations