Geometry & MOs

Info

ID:	142146
PubChem CID:	52990644
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-66.32
Dipole, Da:	3.21
IP(EA), eV:	-9.53(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C(=O)N2CCCCC2=NC3CCCCC3

DOS

IR

Vibrations