Geometry & MOs

Info

ID:	334599
PubChem CID:	127253274
Reduced:	N3O3H25C29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	3.66
IP(EA), eV:	-8.84(-1.51)
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-methylindol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=CC=C2)C(=O)CCN3C4=C(C5=CC=CC=C5C3=O)C(=O)C6=CC=CC=C64

DOS

IR

Vibrations