Geometry & MOs

Info

ID:	122476
PubChem CID:	50808652
Reduced:	BrFSN3O5C19H19 (1)
Stoich.:	ABCD3E5F19G19 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	-203.75
Dipole, Da:	4.49
IP(EA), eV:	-9.08(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N(C)CC(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations