Geometry & MOs

Info

ID:	435577
PubChem CID:	135191856
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	438.186732
ΔH_f, kcal/mol:	-148.21
Dipole, Da:	2.02
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,2E)-8-benzyl-N-[(3S)-7,9-difluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-4,5,6,7-tetrahydrodiazocine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC(=O)N(CO2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations