Geometry & MOs

Info

ID:	348842
PubChem CID:	127274490
Reduced:	N2S2O3C16H20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-45.26
Dipole, Da:	1.93
IP(EA), eV:	-9.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CSCC2=NOC(=C2)C3=CC=CS3

DOS

IR

Vibrations