Geometry & MOs

Info

ID:	179157
PubChem CID:	76443428
Reduced:	FO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	472.236208
ΔH_f, kcal/mol:	-242.61
Dipole, Da:	6.53
IP(EA), eV:	-9.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-hydroxy-2-[(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]-2,3-diphenylpropanoate

Drug info:

PubChemData

Smile

CC12CCC3(C(C1CC(=C)C2(C(=O)CF)O)CCC4=CC(=O)C(=O)CC43C)F

DOS

IR

Vibrations