Geometry & MOs

Info

ID:	414435
PubChem CID:	135087393
Reduced:	FNO4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	310.117356
ΔH_f, kcal/mol:	-222.39
Dipole, Da:	3.53
IP(EA), eV:	-8.73(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-N-(1,4-dithiepan-6-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=C(C=CC(=C3)OC)F)O

DOS

IR

Vibrations