Geometry & MOs

Info

ID:	43708
PubChem CID:	10321678
Reduced:	O2N5C27H27 (1)
Stoich.:	A2B5C27D27 (1)
Weight, g/mol:	453.216475
ΔH_f, kcal/mol:	13.14
Dipole, Da:	5.23
IP(EA), eV:	-8.49(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,5R)-3-azido-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]-N-(2-phenylpropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C2=CC=CC=C2)NC3=CC4=C(C=C3)NN=C4)N5CCCCC5=O

DOS

IR

Vibrations