Geometry & MOs

Info

ID:	348850
PubChem CID:	127274498
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	2.84
IP(EA), eV:	-9.47(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-methyl-1,4-oxazepane-4-carbonyl)pyridin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=C(N=CS2)C

DOS

IR

Vibrations