Geometry & MOs

Info

ID:	70426
PubChem CID:	48413333
Reduced:	BrNSO5C15H20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	380.140593
ΔH_f, kcal/mol:	-173.82
Dipole, Da:	6.04
IP(EA), eV:	-9.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations