Geometry & MOs

Info

ID:	195396
PubChem CID:	78681950
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	395.136887
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	7.48
IP(EA), eV:	-8.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)SC

DOS

IR

Vibrations