Geometry & MOs

Info

ID:	187776
PubChem CID:	77622162
Reduced:	SN4O5C32H48 (1)
Stoich.:	AB4C5D32E48 (1)
Weight, g/mol:	427.170748
ΔH_f, kcal/mol:	-217.54
Dipole, Da:	2.88
IP(EA), eV:	-8.84(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(3,5-difluorophenyl)acetyl]-N-(7-oxo-3-phenyl-1,2,5,6-tetrahydroazepin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)NN(C2CCN(CC2)CC3=CC=CC=C3)C(=O)CCSCC4CCCCC4

DOS

IR

Vibrations