Geometry & MOs

Info

ID:	344169
PubChem CID:	127267345
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	3.18
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCC2C(=O)NCC3=NC=CS3

DOS

IR

Vibrations