Geometry & MOs

Info

ID:	335795
PubChem CID:	127254657
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	34.39
Dipole, Da:	5.34
IP(EA), eV:	-8.22(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N2CCCC(C2)C3=NN=C4N3C=CC=C4)C

DOS

IR

Vibrations