Geometry & MOs

Info

ID:	383232
PubChem CID:	134974852
Reduced:	ClNOSiS2C15H24 (1)
Stoich.:	ABCDE2F15G24 (1)
Weight, g/mol:	350.107357
ΔH_f, kcal/mol:	-58.82
Dipole, Da:	5.23
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-4-chloro-2-(3-phenoxyphenyl)-2,3,4,5-tetrahydro-1-benzoxepine

Drug info:

PubChemData

Smile

CCOC(=S)SC(CCC1=CN=C(C=C1)Cl)C[Si](C)(C)C

DOS

IR

Vibrations