Geometry & MOs

Info

ID:	435656
PubChem CID:	135192080
Reduced:	FO3N4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-22.17
Dipole, Da:	7.71
IP(EA), eV:	-9.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3,4-dimethyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(2-methylpropyl)-3,4-dihydro-2H-azepine-7-carboxamide

Drug info:

PubChemData

Smile

C1C(=NC(=O)C2=NNC(=C2)CC3=CC=CC=C3F)C(=O)NC4=CC=CC=C4O1

DOS

IR

Vibrations