Geometry & MOs

Info

ID:	44631
PubChem CID:	10504550
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	470.231791
ΔH_f, kcal/mol:	-101.6
Dipole, Da:	6.06
IP(EA), eV:	-8.29(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CN(CCO)C1=NC=CC(=C1)NC(=O)C2=C(N=CC=C2)S(=O)CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations