Geometry & MOs

Info

ID:	236872
PubChem CID:	92715201
Reduced:	NSO4C22H29 (1)
Stoich.:	ABC4D22E29 (1)
Weight, g/mol:	513.12632
ΔH_f, kcal/mol:	-153.56
Dipole, Da:	4.71
IP(EA), eV:	-9.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC(=C3)C

DOS

IR

Vibrations