Geometry & MOs

Info

ID:	334683
PubChem CID:	127253358
Reduced:	O4H9C12 (2)
Stoich.:	A4B9C12 (2)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-194.92
Dipole, Da:	3.24
IP(EA), eV:	-8.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-[1-(2-methylpropyl)indol-3-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C2=C(C3=CC4=C(C=C3O2)OCO4)C5=CC6=C(C=C5O)OCO6

DOS

IR

Vibrations