Geometry & MOs

Info

ID:	195903
PubChem CID:	78746950
Reduced:	NOSC10H12 (2)
Stoich.:	ABCD10E12 (2)
Weight, g/mol:	415.118651
ΔH_f, kcal/mol:	-44.73
Dipole, Da:	3.67
IP(EA), eV:	-8.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=S)N(CC2=CC=CC=C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations