Geometry & MOs

Info

ID:	164780
PubChem CID:	74451531
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	328.111973
ΔH_f, kcal/mol:	-102.83
Dipole, Da:	7.97
IP(EA), eV:	-8.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6,12-dioxo-2-thiophen-3-yl-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl)azanium

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4CC(CCN4C3=O)N)OC

DOS

IR

Vibrations