Geometry & MOs

Info

ID:	349582
PubChem CID:	127275734
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-111.11
Dipole, Da:	1.69
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCCNC(=O)C2=CC=CS2

DOS

IR

Vibrations