Geometry & MOs

Info

ID:	32480
PubChem CID:	7838003
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	419.136887
ΔH_f, kcal/mol:	-159.57
Dipole, Da:	6.13
IP(EA), eV:	-8.44(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4-phenoxybenzoate

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC(=O)NC1=CC=CC(=C1C)C)C(=O)COC(=O)C2=CC=C(S2)C

DOS

IR

Vibrations