Geometry & MOs

Info

ID:	68139
PubChem CID:	46507824
Reduced:	SN2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	263.072848
ΔH_f, kcal/mol:	51.66
Dipole, Da:	5.36
IP(EA), eV:	-8.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-sulfanylidene-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3CNC2=S

DOS

IR

Vibrations