Geometry & MOs

Info

ID:	245381
PubChem CID:	99444116
Reduced:	NSO7C21H25 (1)
Stoich.:	ABC7D21E25 (1)
Weight, g/mol:	361.163771
ΔH_f, kcal/mol:	-243.72
Dipole, Da:	8.09
IP(EA), eV:	-8.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)OC)OC)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations