Geometry & MOs

Info

ID:	187609
PubChem CID:	77597238
Reduced:	SCl2N2O4C17H22 (1)
Stoich.:	AB2C2D4E17F22 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-175.57
Dipole, Da:	7.2
IP(EA), eV:	-9.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[(4-phenylphenyl)methyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CN(CC1N(CC2=C(C=C(C=C2)Cl)Cl)C3CCS(=O)(=O)CC3)C(=O)O

DOS

IR

Vibrations